J. Cioslowski

发表

Rigorous interpretation of electronic wave functions. 2. Electronic structures of selected phosphorus, sulfur, and chlorine fluorides and oxides

J. Cioslowski, S. T. Mixon, 1993 .

Additive nodal increments for approximate calculation of the total π-electron energy of benzenoid hydrocarbons

J. Cioslowski, 1985 .

A set of standard enthalpies of formation for benchmarking, calibration, and parametrization of electronic structure methods

J. Cioslowski, Michael Schimeczek, Guanghua Liu, 2000 .

Natural amplitudes of the ground state of the helium atom: Benchmark calculations and their relevance to the issue of unoccupied natural orbitals in the H2 molecule.

J. Cioslowski, Filip Pra Tnicki, 2019, The Journal of chemical physics.

Six questions on topology in theoretical chemistry

D. L. Cooper, R. Carbó-Dorca, A. Savin, 2015 .

Electron correlation contributions to one‐electron properties from functionals of the Hartree–Fock electron density

J. Cioslowski, A. Nanayakkara, 1993 .

Accurate analytical representations of the core-electron densities of the elements 3 through 118

J. Cioslowski, P. Rez, P. Piskorz, 1997 .

A basis set convergence study of conventional and HSF electron densities in the Li2 molecule

M. Challacombe, J. Cioslowski, 1994 .

Partitioning of the orbital overlap matrix and the localization criteria

J. Cioslowski, 1991 .

Fullerenes patched by flowers with octagonal core

J. Cioslowski, M. Diudea, Beata Szefler, 2013 .

Unusual bonding in the 1,1,1-triamino-2,2,2-tricyanoethane molecule

J. Cioslowski, S. T. Mixon, 1990 .

Isopycnic orbital transformations and localization of natural orbitals

J. Cioslowski, 1990 .

Partitioning of electronic properties in two‐center, one‐electron coulombic systems

J. Cioslowski, 1990 .

A novel compact nomenclature of the condensed benzenoid hydrocarbons

J. Cioslowski, A. Turek, 1984 .

Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atom.

J. Cioslowski, E. Matito, K. Strasburger, 2014, The Journal of chemical physics.

The three-electron harmonium atom: the lowest-energy doublet and quadruplet states.

J. Cioslowski, E. Matito, K. Strasburger, 2012, The Journal of chemical physics.

Benchmark Full Configuration Interaction Calculations on the Lowest-Energy (2)P and (4)P States of the Three-Electron Harmonium Atom.

J. Cioslowski, E. Matito, 2011, Journal of chemical theory and computation.

Properties of harmonium atoms from FCI calculations: Calibration and benchmarks for the ground state of the two-electron species.

J. Cioslowski, S. Vyboishchikov, E. Matito, 2010, Physical chemistry chemical physics : PCCP.

Coulomb crystals of few particles : Closed-form expressions for equilibrium energies and geometries, and vibrational force constants

J. Cioslowski, M. Buchowiecki, 2008 .

Wigner molecules: natural orbitals of strongly correlated two-electron harmonium.

J. Cioslowski, M. Buchowiecki, 2006, The Journal of chemical physics.

Collective natural orbital occupancies of harmonium.

J. Cioslowski, M. Buchowiecki, 2005, The Journal of chemical physics.

Geometry‐Tunable Lewis Acidity of Amidinium Cations and Its Relevance to Redox Reactions of the Thauer Metal‐Free Hydrogenase: A Theoretical Study

J. Cioslowski, G. Boche, 1997 .

Cumulant Expansions of Reduced Densities, Reduced Density Matrices, and Green’s Functions

J. Cioslowski, P. Ziesche, 2000 .

Energetics, electronic structures and geometries of didehydroazines

J. Cioslowski, D. Moncrieff, A. Szarecka, 2003 .

Harmonium atoms at weak confinements: The formation of the Wigner molecules.

J. Cioslowski, K. Strasburger, 2017, The Journal of chemical physics.

Uniform description of the helium isoelectronic series down to the critical nuclear charge with explicitly correlated basis sets derived from regularized Krylov sequences.

J. Cioslowski, Filip Prątnicki, 2020, The Journal of chemical physics.

Quantum-mechanical prediction of thermochemical data

J. Cioslowski, 2002 .

Atomic Fukui indices from the topological theory of atoms in molecules applied to Hartree-Fock and correlated electron densities

J. Cioslowski, S. T. Mixon, M. Martinov, 1993 .

Badger's rule revisited

J. Cioslowski, Guanghua Liu, R. A. Castro, 2000 .

Endohedral Magnetic Shielding in the C60 Cluster

J. Cioslowski, 1994 .

A charge granularity correction to electrostatic self-energies of planar charge distributions1

J. Cioslowski, Joanna Albin, 2016 .

A benchmark electronic structure study of the Wellington elimination

J. Cioslowski, D. Moncrieff, 2005 .

Bulk properties from finite-cluster calculations

J. Cioslowski, 1990 .

From Fredholm to Schrödinger via Eikonal: A New Formalism for Revealing Unknown Properties of Natural Orbitals.

J. Cioslowski, K. Strasburger, 2021, Journal of chemical theory and computation.

Exact topological π-electron Hamiltonians from ab initio wavefunctions?

J. Cioslowski, S. T. Mixon, 1993 .

Angular-Momentum Extrapolations to the Complete Basis Set Limit: Why and When They Work.

J. Cioslowski, K. Strasburger, 2021, Journal of chemical theory and computation.

Endohedral effect in inclusion complexes of the C60 cluster

J. Cioslowski, A. Nanayakkara, 1992 .

SYSTEMATIC ANALYSIS OF SUBSTITUENT EFFECTS. II. CHARGES AND ENERGIES OF ATOMS IN FLUOROCHLOROETHANES

J. Cioslowski, T. Varnali, 1999 .

Single‐excitations‐adapted molecular orbitals for a simplified description of electronic excited states

J. Cioslowski, 1991 .

One-electron reduced density matrices of strongly correlated harmonium atoms.

J. Cioslowski, 2015, The Journal of chemical physics.

Ring-diagram summations and the self-energy of the homogeneous electron gas at its weak-correlation limit

J. Cioslowski, P. Ziesche, 2007 .

Endohedral motions inside capped single-walled carbon nanotubes

J. Cioslowski, K. Pernal, D. Moncrieff, 2003 .

Partial-wave decomposition of the one-electron properties of the LiH molecule computed with explicitly correlated basis sets

J. Cioslowski, K. Strasburger, 2022, Molecular Physics.

Charge distributions and effective atomic charges in transition-metal complexes using generalized atomic polar tensors and topological analysis

J. Cioslowski, P. Hay, J. P. Ritchie, 1990 .

Coordinate transformations of cubic force constants and transferability of anharmonic force constants in internal coordinates

M. Challacombe, J. Cioslowski, 1991 .

A Universal Power Law Governing the Accuracy of Wave Function-Based Electronic Structure Calculations.

J. Cioslowski, K. Strasburger, 2022, The journal of physical chemistry letters.

New constraints upon the electron-electron repulsion energy functional of the one-electron reduced density matrix.

J. Cioslowski, 2005, The Journal of chemical physics.

On extracting the bulk properties from results of small cluster calculations

J. Cioslowski, 1988 .

Ab initio quantum-mechanical and experimental mechanistic studies of Diels-Alder reactions between unsubstituted and phenyl-substituted acetylenes and 1,2,4,5-tetrazines

J. Cioslowski, J. Sauer, T. Karcher, 1993 .

Topological properties of electron density in search of steric interactions in molecules : electronic structure calculations on ortho-substituted biphenyls

Jerzy Cioslowski, J. Cioslowski, S. T. Mixon, 1992 .

Electronic Structure Calculations on Fullerenes and Their Derivatives

Jerzy Cioslowski, J. Cioslowski, 1995 .

Conformations and Thermodynamic Properties of Sulfur Homocycles. Part 1. The S5, S6, S7, and S8 Molecules.

J. Cioslowski, D. Moncrieff, A. Szarecka, 2001 .

Conformations and Thermodynamic Properties of Sulfur Homocycles. 1. The S5, S6, S7, and S8 Molecules

J. Cioslowski, D. Moncrieff, and Agnieszka Szarecka, 2001 .

The Role of Ate Complexes in Halogen(Metalloid)–Metal Exchange Reactions: A Theoretical Study

J. Cioslowski, Michael Schimeczek, G. Boche, 1998 .

A simple algorithm for the calculation of the π ionization energies of substituted benzenes

J. Cioslowski, A. Baranski, T. Juška, 1986 .

Thermal Rearrangement of Ethynylarenes to Cyclopentafused Polycyclic Aromatic Hydrocarbons: An Electronic Structure Study

J. Cioslowski, Michael Schimeczek, D. Moncrieff, 1999 .

Covalent vs ionic bonding in hexasubstituted Push-Pull ethanes

J. Cioslowski, S. T. Mixon, 1991 .

Electronic structures of trifluoro-, tricyano-, and trinitromethane and their conjugate bases

Eugene D. Fleischmann, Jerzy Cioslowski, J. Cioslowski, 1991 .

Electronic Structure Calculations on Endohedral Complexes of Fullerenes: Reminiscences and Prospects

J. Cioslowski, 2023, Molecules.

Endohedral chemistry: electronic structures of molecules trapped inside the C60 cage

J. Cioslowski, 1991 .

Theoretical thermochemistry of the C60F18, C60F36, and C60F48 fluorofullerenes

J. Cioslowski, K. Pernal, A. Szarecka, 2001 .

Regularities in Energies and Geometries of Biaryls: An ab Initio Electronic Structure Study

J. Cioslowski, Guanghua Liu, D. Moncrieff, 1996 .

The connected moments expansion for the zero-point energy of coupled anharmonic oscillators

J. Cioslowski, 1987 .

Thermochemistry of Homolytic C−C, C−H, and C−Cl Bond Dissociations in Polychloroethanes: Benchmark Electronic Structure Calculations

J. Cioslowski, Guanghua Liu, D. Moncrieff, 1997 .

Many-Electron Densities and Reduced Density Matrices

Jerzy Cioslowski, J. Cioslowski, 2012 .

Approximate one-matrix functionals for the electron–electron repulsion energy from geminal theories

J. Cioslowski, K. Pernal, M. Buchowiecki, 2003 .

Steepest descent perturbation theory for a non-linear schrödinger equation describing the solvent-molecule interaction

J. Cioslowski, 1987 .

Internal heavy atom effects for chloro- and bromoquinolines

J. Cioslowski, Włodzimierz Jarzȩba, Jan Najbar, 1986 .

Molecular orbital calculations on the peroxydimethoxyl dianion, an intermediate of the blank-finkenbeiner reaction

Eugene D. Fleischmann, J. Cioslowski, 1990 .

A new population analysis based on atomic polar tensors

Jerzy Cioslowski, J. Cioslowski, 1989 .

A rigorous energy partitioning scheme for analysis of molecular interactions

J. Cioslowski, M. Martinov, 1995 .

Electronic Wavefunctions Analysis

J. Cioslowski, 2002 .

The atomic softness matrix

J. Cioslowski, M. Martinov, 1994 .

Electronic structure of the benzene–tetracyanoethylene complex: A synthesis of molecular orbital and density functional descriptions

J. Cioslowski, 1994 .

Electron flow and electronegativity equalization in the process of bond formation

J. Cioslowski, B. Stefanov, 1993 .

Electronegativities in situ, bond hardnesses, and charge-transfer components of bond energies from the topological theory of atoms in molecules

J. Cioslowski, S. T. Mixon, 1993 .

An observable-based interpretation of electronic wavefunctions: application to “hypervalent” molecules

P. Surján, J. Cioslowski, 1992 .

One‐electron density matrices and energy gradients in second‐order electron propagator theory

J. V. Ortiz, J. Cioslowski, 1992 .

An irregular dependence of the total electronic energy of clusters on their size

J. Cioslowski, M. Kertész, 1986 .

Series analysis methods in enumeration of chemical isomers

J. Cioslowski, 1989 .

A CNDO/S study on the alkylbenzene-TCNE complexes

J. Cioslowski, 1986 .

Rigorous interpretation of electronic wavefunctions. IV. Origins of the unusual stability of the 1,3‐dimethylimidazol‐2‐ylidene carbene

J. Cioslowski, 1993 .

Applicability of the ladder theory to the three-dimensional homogeneous electron gas

J. Cioslowski, P. Ziesche, 2005 .

Molecular geometries from spin Hamiltonian calculations through simultaneous optimization of geometry and wave function

J. Cioslowski, 1989 .

Nine questions on energy decomposition analysis

Farnaz Heidar-Zadeh, Paul W. Ayers, Roberto Álvarez Boto, 2019, J. Comput. Chem..

Effects of solvation on chemical bonding: An electron‐flow analysis

J. Cioslowski, M. Martinov, 1995 .

Spin–resolved analysis of electronegativity equalization and electron flow in molecules

J. Cioslowski, M. Martinov, 1995 .

Rapid evaluation of atomic properties with mixed analytical/numerical integration

M. Challacombe, J. Cioslowski, A. Nanayakkara, 1993 .

Variability of shapes and properties of atoms in molecules: a case study of the carbonyl oxygen

J. Cioslowski, B. Stefanov, 1996 .

Variational determination of the zero-flux surfaces of atoms in molecules

Jerzy Cioslowski, J. Cioslowski, B. Stefanov, 1995 .

RhoScope: a highly portable computer program for visualization of the zero-flux atomic surfaces.

J. Cioslowski, A. Nanayakkara, 1994, Journal of molecular graphics.

Similarity of atoms in molecules

Asiri Nanayakkara, Jerzy Cioslowski, J. Cioslowski, 1993 .

An efficient evaluation of atomic properties using a vectorized numerical integration with dynamic thresholding

J. Cioslowski, 1992 .

Covalent bond orders in the topological theory of atoms in molecules

Jerzy Cioslowski, J. Cioslowski, S. T. Mixon, 1991 .

Weak bonds in the topological theory of atoms in molecules

Jerzy Cioslowski, J. Cioslowski, S. T. Mixon, 1991 .

Assessing molecular similarity from results of ab initio electronic structure calculations

Eugene D. Fleischmann, Jerzy Cioslowski, J. Cioslowski, 1991 .

Robust interpolation between weak- and strong-correlation regimes of quantum systems.

J. Cioslowski, 2012, The Journal of chemical physics.

Density matrix functional theory of weak intermolecular interactions

J. Cioslowski, K. Pernal, 2002 .

Rovibrational states of Wigner molecules in spherically symmetric confining potentials.

J. Cioslowski, 2016, The Journal of chemical physics.

Five- and six-electron harmonium atoms: Highly accurate electronic properties and their application to benchmarking of approximate 1-matrix functionals.

J. Cioslowski, K. Strasburger, 2018, The Journal of chemical physics.

Endohedral complexes: Atoms and ions inside the C60 cage

Eugene D. Fleischmann, Jerzy Cioslowski, J. Cioslowski, 1991 .

Asymptotic equivalence of the shell-model and local-density descriptions of Coulombic systems confined by radially symmetric potentials in two and three dimensions.

J. Cioslowski, Joanna Albin, 2013, The Journal of chemical physics.

Bulk properties from finite‐cluster calculations. V. Pseudo‐Wannier orbitals from molecular orbital calculations on finite clusters

J. Cioslowski, 1990 .

Cumulant Structure Factors of Jellium

J. Cioslowski, P. Ziesche, 2014 .

Systematic construction of approximate one-matrix functionals for the electron-electron repulsion energy

J. Cioslowski, K. Pernal, P. Ziesche, 2002 .

Graph theoretical approach to the topological spin Hamiltonian applied to conjugated molecules

J. Cioslowski, 1987 .

A ground state steepest descent perturbation theory

J. Cioslowski, 1987 .

Connected moments expansion calculations of the correlation energy in small molecules

P. Surján, R. Poirier, J. Cioslowski, 1987 .

A study of the connected moments expansions for the correlation energy via an exactly soluble problem

J. Cioslowski, 1987 .

Robust validation of approximate 1-matrix functionals with few-electron harmonium atoms.

J. Cioslowski, E. Matito, M. Piris, 2015, The Journal of chemical physics.

Frequency-dependent response properties and excitation energies from one-electron density matrix functionals.

J. Cioslowski, K. Pernal, 2007, Physical chemistry chemical physics : PCCP.

Ionization potentials from the extended Koopmans’ theorem applied to density matrix functional theory

J. Cioslowski, K. Pernal, 2005 .

Local-density-matrix approximation: Exact asymptotic results for a high-density homogeneous electron gas

J. Cioslowski, K. Pernal, 2005 .

Size versus volume extensivity of a new class of density matrix functionals.

J. Cioslowski, K. Pernal, 2004, The Journal of chemical physics.

Description of a high-density homogeneous electron gas with the Yasuda density matrix functional

J. Cioslowski, K. Pernal, P. Ziesche, 2001 .

Response properties and stability conditions in density matrix functional theory

J. Cioslowski, K. Pernal, 2001 .

Atomic orbitals in molecules

Jerzy Cioslowski, J. Cioslowski, Andrew Liashenko, 1998 .

Bulk properties from finite‐cluster calculations. VII. Accurate ab initio calculations on the Peierls distortions in polyacene

J. Cioslowski, 1993 .

Construction of explicitly correlated one-electron reduced density matrices.

J. Cioslowski, 2020, The Journal of chemical physics.

Variational density matrix functional theory calculations with the lowest-order Yasuda functional

J. Cioslowski, K. Pernal, 2002 .

On the exactness of simple natural spin-orbital functionals for a high-density homogeneous electron gas

J. Cioslowski, K. Pernal, P. Ziesche, 2001 .

Description of a homogeneous electron gas with simple functionals of the one-particle density matrix

J. Cioslowski, K. Pernal, 2000 .

Constraints upon natural spin orbital functionals imposed by properties of a homogeneous electron gas

J. Cioslowski, K. Pernal, 1999 .

Phase dilemma in density matrix functional theory.

J. Cioslowski, K. Pernal, 2004, The Journal of chemical physics.

Density matrix functional theory of four-electron systems

J. Cioslowski, M. Buchowiecki, P. Ziesche, 2003 .

Approximate one-electron density matrix functionals for the electron–electron repulsion energy from the hypervirial theorem

J. Cioslowski, R. López-Boada, 1998 .

ENERGETICS AND SITE SPECIFICITY OF THE HOMOLYTIC C-H BOND CLEAVAGE IN BENZENOID HYDROCARBONS : AN AB INITIO ELECTRONIC STRUCTURE STUDY

David Moncrieff, Jerzy Cioslowski, J. Cioslowski, 1996 .

Screening-controlled morphologies of Yukawa crystals.

J. Cioslowski, Ewa Grzebielucha, 2010, The Journal of chemical physics.

Off-diagonal derivative discontinuities in the reduced density matrices of electronic systems.

J. Cioslowski, 2020, The Journal of chemical physics.

The One-Electron Reduced Density Matrix Functional Theory of Spin-Polarized Systems.

J. Cioslowski, 2020, Journal of chemical theory and computation.

Bilinear Constraints Upon the Correlation Contribution to the Electron-Electron Repulsion Energy as a Functional of the One-Electron Reduced Density Matrix.

J. Cioslowski, Á. Szabados, Zsuzsanna É. Mihálka, 2019, Journal of chemical theory and computation.

Reverse engineering in quantum chemistry: How to reveal the fifth‐order off‐diagonal cusp in the one‐electron reduced density matrix without actually calculating it

J. Cioslowski, 2021 .

GUEST DISCRIMINATION IN COMPLEXES OF ALKALI METAL CATIONS WITH THE C36H36 SPHERIPHANE : AN AB INITIO ELECTRONIC STRUCTURE STUDY

J. Cioslowski, Qun Lin, 1995 .

The ground state of harmonium

J. Cioslowski, K. Pernal, 2000 .

First‐principles conformational analysis of the C36H36 spheriphane, a prototype hydrocarbon host cage

Jerzy Cioslowski, Agnieszka Szarecka, J. Cioslowski, 2001, J. Comput. Chem..

Substituent effects. 4. Nature of substituent effects at carbonyl groups

J. Cioslowski, C. Hadad, P. Rablen, 1992 .

The concerted trimerization of ethyne to benzene revisited

J. Cioslowski, Guanghua Liu, D. Moncrieff, 2000 .

Topological hamiltonian spectra of polycyclic benzenoid hydrocarbons

J. Cioslowski, O. Polansky, 1988 .

Electronic structures, geometries, and energetics of highly charged cations of the C60 fullerene

J. Cioslowski, S. Patchkovskii, W. Thiel, 1996 .

Ab Initio Calculations on Large Molecules: Methodology and Applications

Jerzy Cioslowski, J. Cioslowski, 2007 .

Electronic structures of the icosahedral C60H60 and C60F60 molecules

Jerzy Cioslowski, J. Cioslowski, 1991 .

Exceptionally low charge trapping enables highly efficient organic bulk heterojunction solar cells

J. V. Ortiz, G. A. Petersson, K., 2020 .

Theoretical treatise on molecular structure and geometry

J. Cioslowski, 1999 .

Shell models of two-dimensional Coulomb crystals: assessment and comparison with the three-dimensional case.

J. Cioslowski, Joanna Albin, 2012, The Journal of chemical physics.

Shell model of assemblies of equicharged particles subject to radial confining potentials.

J. Cioslowski, Ewa Grzebielucha, 2011, The Journal of chemical physics.

Shell structures of assemblies of equicharged particles subject to radial power-law confining potentials.

J. Cioslowski, 2010, The Journal of chemical physics.

Parameter-free shell model of spherical Coulomb crystals.

J. Cioslowski, Ewa Grzebielucha, 2008, Physical review. E, Statistical, nonlinear, and soft matter physics.

Oscillatory and fluctuating terms in energies of assemblies of equicharged particles subject to spherically symmetric power-law confining potentials.

J. Cioslowski, Joanna Albin, 2013, The Journal of chemical physics.

Modified Thomson problem.

J. Cioslowski, 2009, Physical review. E, Statistical, nonlinear, and soft matter physics.

Zero-point vibrational energies of spherical Coulomb crystals.

J. Cioslowski, Ewa Grzebielucha, 2009, The Journal of chemical physics.

Properties of Coulomb crystals: rigorous results.

J. Cioslowski, 2008, The Journal of chemical physics.

Electrostatic self-energies of discrete charge distributions on Jordan curves

J. Cioslowski, Joanna Albin, 2014, Journal of Mathematical Chemistry.

Electrostatic energy of polygonal charge distributions

J. Cioslowski, Joanna Albin, 2012, Journal of Mathematical Chemistry.

Steric Overcrowding in Perhalogenated Cyclohexanes, Dodecahedranes, and [60]Fulleranes

Jerzy Cioslowski, J. Cioslowski, B. Stefanov, 1995 .

Universality among topological properties of electron density associated with the hydrogen–hydrogen nonbonding interactions

Jerzy Cioslowski, J. Cioslowski, S. T. Mixon, 1992 .

Electrostatic interaction energies from a generalized Gaussian quadrature

J. Cioslowski, Guanghua Liu, 1997 .

Note on the relation between total electronic energy and the sum of orbital energies

J. Cioslowski, 1988 .

Electrostatic potential, polarization, shielding, and charge transfer in endohedral complexes of the C60, C70, C76, C78, C82, and C84 clusters

K. Raghavachari, J. Cioslowski, 1993 .

Unoccupied natural orbitals in two-electron Coulombic systems

J. Cioslowski, K. Pernal, 2006 .

Accurate electron densities from the Hiller-Sucher-Feinberg identity applied to constrained wavefunctions

M. Challacombe, J. Cioslowski, 1994 .

Efficient implementation of the Hiller–Sucher–Feinberg identity for the accurate determination of the electron density

M. Challacombe, J. Cioslowski, 1994 .

Properties of electron density and other one-electron observables derived from generalized Hiller–Sucher–Feinberg identities

J. Cioslowski, R. López-Boada, 1998 .

The Hiller-Sucher-Feinberg density is not integrable

M. Challacombe, J. Cioslowski, 1992 .

Three electrons in a harmonic oscillator potential: Pairs versus single particles

J. Cioslowski, K. Pernal, M. Taut, 2003 .

Note on the finite number of interacting neighbors and the finite number of k‐point effects on the total electronic energy of a metallic polymer

J. Cioslowski, M. Kertész, 1988 .

Standard Enthalpies of Formation of Fullerenes and Their Dependence on Structural Motifs

David Moncrieff, Jerzy Cioslowski, J. Cioslowski, 2000 .

On the validity of the extended Koopmans’ theorem

J. Cioslowski, K. Pernal, 2001 .

Computationally Inexpensive Theoretical Thermochemistry

Jerzy Cioslowski, J. Cioslowski, Guanghua Liu, 1998 .

Analytical derivatives of atomic zero‐flux surfaces and properties of atoms in molecules with respect to external perturbations

J. Cioslowski, B. Stefanov, 1996 .

Single-particle-exact density functional theory

Mikolaj M. Paraniak, B. Englert, J. Cioslowski, 2023, 2305.03233.

Symmetry handling in calculations of properties of atoms in molecules

J. Cioslowski, B. Stefanov, 1996 .

Theory of response properties of atoms in molecules

J. Cioslowski, 1996 .

Natural orbitals of the ground state of the two-electron harmonium atom

J. Cioslowski, 2018, Theoretical Chemistry Accounts.

Solitonic natural orbitals.

J. Cioslowski, 2018, The Journal of chemical physics.

The Coulomb, exchange, and correlation components of the electron-electron repulsion in harmonium atoms.

J. Cioslowski, 2015, The Journal of chemical physics.

Wigner molecules: the strong-correlation limit of the three-electron harmonium.

J. Cioslowski, K. Pernal, 2006, The Journal of chemical physics.

Simple approximants for natural orbitals of harmonium.

J. Cioslowski, M. Buchowiecki, 2005, The Journal of chemical physics.

Ab Initio Electronic Structure Calculations on Endohedral Complexes of the C60 Cluster

J. Cioslowski, 1992 .

Heats of formation of higher fullerenes from ab initio Hartree—Fock and correlation energy functional calculations

J. Cioslowski, 1993 .

Fullerenes patched by flowers

Beata Szefler, Mircea V. Diudea, Mihai Medeleanu, 2013 .

Is Superbenzene Superaromatic

Eugene D. Fleischmann, Jerzy Cioslowski, Peter B. O’Connor, 1991 .

The generalized Padé approximants and chemical graph theory

Jerzy Cioslowski, J. Cioslowski, 1988 .

Electronic Structure Studies of 1,2-Didehydrogenation of Arenes and Rearrangement of Arynes to Annelated Cyclopentadienylidenecarbenes

J. Cioslowski, D. Moncrieff, and Pawel Piskorz, 1998 .

Bulk properties from finite‐cluster calculations. VI. A finite‐size perturbation theory for the Hartree–Fock energy of linear oligomers

J. Cioslowski, M. Lepetit, 1991 .

Properties of aromaticity indices based on the one-electron density matrix.

J. Cioslowski, M. Solà, E. Matito, 2007, The journal of physical chemistry. A.

Electron intracule densities with correct electron coalescence cusps from Hiller–Sucher–Feinberg‐type identities

C. Umrigar, J. Cioslowski, B. Stefanov, 1995 .

Topology of electron-electron interactions in atoms and molecules. II. The correlation cage

J. Cioslowski, Guanghua Liu, 1999 .

Electron intracule densities and Coulomb holes from energy-derivative two-electron reduced density matrices

Jerzy Cioslowski, J. Cioslowski, Guanghua Liu, 1998 .

Topology of electron–electron interactions in atoms and molecules. I. The Hartree–Fock approximation

J. Cioslowski, Guanghua Liu, 1996 .

FAST EVALUATION OF ELECTRON INTRACULE AND EXTRACULE DENSITIES ON LARGE GRIDS OF POINTS

J. Cioslowski, Guanghua Liu, 1996 .

Nuclear cusps in the HSF electron density

M. Challacombe, J. Cioslowski, 1994 .

Topology of electron correlation in the b 3Σ+u state of the H2 molecule

J. Rychlewski, J. Cioslowski, Guanghua Liu, 2000 .

Topology of electron–electron interactions in atoms and molecules. III. Morphology of electron intracule density in two 1Σg+ states of the hydrogen molecule

J. Rychlewski, J. Cioslowski, Guanghua Liu, 1999 .

Topology of Electron Correlation

J. Cioslowski, 2000 .

Simpler is often better: Computational efficiency of explicitly correlated two-electron basis sets generated by the regularized Krylov sequences of Nakatsuji.

J. Cioslowski, Filip Pra Tnicki, 2018, The Journal of chemical physics.

Principles of AB initio SCF calculations with minimal storage requirements

J. Cioslowski, 1989 .

A unified theory of the stability of benzenoid hydrocarbons

J. Cioslowski, 1987 .

Ionization potentials and electron affinities from the extended Koopmans’ theorem applied to energy-derivative density matrices: The EKTMPn and EKTQCISD methods

J. Cioslowski, Guanghua Liu, P. Piskorz, 1997 .

Nonnuclear attractors in the lithium dimeric molecule

J. Cioslowski, J. Cioslowski, 1990 .

Endohedral magnetic shielding in fullerenes. A GIAO CPHF study

J. Cioslowski, 1994 .

A new robust algorithm for fully automated determination of attractor interaction lines in molecules

J. Cioslowski, A. Nanayakkara, 1994 .

Properties of atoms in molecules from valence-electron densities augmented with core-electron contributions

J. Cioslowski, P. Piskorz, 1996 .

Two isomers of the Li2C2O2 molecule : an ab initio study

J. Cioslowski, 1990 .

The functional derivatives of the Rayleigh's quotient―Concept and applications

J. Cioslowski, 1987 .

Electronic structures and energetics of [5,5] and [9,0] single-walled carbon nanotubes.

J. Cioslowski, D. Moncrieff, Niny Z. Rao, 2002, Journal of the American Chemical Society.

The electron–electron repulsion energy as a functional of the Hartree–Fock one-electron density matrix

J. Cioslowski, R. López-Boada, 1999 .

Rigorous interpretation of electronic wave functions. 1. Electronic structures of boron trihydride, diborane, boron hydride (B3H7) and triborane

J. Cioslowski, M. Mckee, 1992 .

Electronic structure of borabenzene and its adducts with carbon monoxide and nitrogen

J. Cioslowski, P. Hay, 1990 .

The three-dimensional electron gas at the weak-correlation limit: how peculiarities of the momentum distribution and the static structure factor give rise to logarithmic non-analyticities in the kinetic and potential correlation energies

J. Cioslowski, P. Ziesche, 2005 .

Quantifying the Hammond postulate : intramolecular proton transfer in substituted hydrogen catecholate anions

Jerzy Cioslowski, J. Cioslowski, 1991 .

Matt Challacombe, Jerzy Cioslowski, M. Challacombe, 1991 .

Conformations and thermodynamic properties of sulphur homocycles. II. The fluxional S+ 8 radical cation

J. Cioslowski, D. Moncrieff, A. Szarecka, 2002 .

Transferability of energies of atoms in organic molecules

J. Cioslowski, M. Mandado, Antonio Vila, 2003 .

Endohedral chemical shifts in higher fullerenes with 72–86 carbon atoms

J. Cioslowski, W. Thiel, A. Hirsch, 2001 .

Bulk properties from finite cluster calculations. VIII. Benchmark calculations of the efficiency of extrapolation methods for the HF and MP2 energies of polyacenes

Ernst Joachim Weniger, Jerzy Cioslowski, J. Cioslowski, 1993, J. Comput. Chem..

Tool for assessing the accuracy of approximate electronic wave functions

J. Cioslowski, Krzysztof Strasburger, 2024, Physical Review A.

Energetics of the Homolytic C-H and C-Cl Bond Cleavages in Polychlorobenzenes: The Role of Electronic and Steric Effects

David Moncrieff, Jerzy Cioslowski, J. Cioslowski, 1997 .

Symmetry Equiincidence of Natural Orbitals.

J. Cioslowski, K. Strasburger, 2023, The journal of physical chemistry letters.

Total π‐electron energy in the “variable β” Hückel method

J. Cioslowski, 1988 .

Endohedral fullerites: A new class of ferroelectric materials.

J. Cioslowski, A. Nanayakkara, Cioslowski, 1992, Physical review letters.