F. Pawłowski

发表

DALTON2013 { Dalton Program Manual

Kristian O. Sylvester-Hvid, Jógvan Magnus Haugaard Olsen, J. Olsen, 2013 .

Sympathetic cooling of the Ba + ion by collisions with ultracold Rb atoms: Theoretical prospects

R. Moszynski, F. Pawłowski, Z. Idziaszek, 2010, 1008.0840.

The Dalton quantum chemistry program system

Luca Frediani, Thomas Kjærgaard, Trygve Helgaker, 2013, Wiley interdisciplinary reviews. Computational molecular science.

Molecular response properties from a Hermitian eigenvalue equation for a time-periodic Hamiltonian.

J. Olsen, P. Jørgensen, F. Pawłowski, 2015, The Journal of chemical physics.

Assessment of the CTOCD-DZ method in a hierarchy of coupled cluster methods.

P. Lazzeretti, F. Pawłowski, A. S. de Merás, 2010, Physical chemistry chemical physics : PCCP.

Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies.

J. Olsen, P. Jørgensen, F. Pawłowski, 2019, The Journal of chemical physics.

Interaction between LiH molecule and Li atom from state-of-the-art electronic structure calculations.

R. Moszynski, T. Korona, P. Żuchowski, 2010, The Journal of chemical physics.

Rovibrational dynamics of the strontium molecule in the A(1)Σ(u)+, c(3)Π(u), and a(3)Σ(u)+ manifold from state-of-the-art ab initio calculations.

R. Moszynski, C. Koch, F. Pawłowski, 2012, The Journal of chemical physics.

Do Dyson Orbitals resemble canonical Hartree–Fock orbitals?

F. Pawłowski, J. Ortiz, Manuel Díaz-Tinoco, 2018, Molecular Physics.

Massively parallel and linear-scaling algorithm for second-order Møller-Plesset perturbation theory applied to the study of supramolecular wires

Aaron Vose, Dmitry Liakh, Dmytro Bykov, 2017, Comput. Phys. Commun..

Cluster perturbation theory. V. Theoretical foundation for cluster linear target states.

J. Olsen, P. Jørgensen, F. Pawłowski, 2019, The Journal of chemical physics.

The hyperpolarizability of the Ne atom in the approximate coupled cluster triples model CC3

P. Jørgensen, C. Hättig, F. Pawłowski, 2004 .

High-order correlation effects on dynamic hyperpolarizabilities and their geometric derivatives: a comparison with density functional results.

P. Jørgensen, M. Pecul, A. Köhn, 2006, The Journal of chemical physics.

Valence electronic structure of Mn in undoped and doped lanthanum manganites from relative K x-ray intensity studies

R. Pinto, F. Pawłowski, A. Nigam, 2001 .

Valence electronic structure of Ti, Cr, Fe and Co in some alloys from Kβ-to-Kα X-ray intensity ratio studies

F. Pawłowski, S. Raj, M. Polasik, 2002 .

Gauge invariance of oscillator strengths in the approximate coupled cluster triples model CC3

P. Jørgensen, C. Hättig, F. Pawłowski, 2004 .

Electron Propagator Self-Energies versus Improved GW100 Vertical Ionization Energies.

J. V. Ortiz, F. Pawłowski, Ernest Opoku, 2022, Journal of chemical theory and computation.

An efficient density-functional-theory force evaluation for large molecular systems.

Trygve Helgaker, Simen Reine, Andreas Krapp, 2010, The Journal of chemical physics.

Electron Propagator Theory of Vertical Electron Detachment Energies of Anions: Benchmarks and Applications to Nucleotides.

J. V. Ortiz, F. Pawłowski, Ernest Opoku, 2023, The journal of physical chemistry. A.

Ionization Energies and Dyson Orbitals of the Iso-electronic SO2, O3, and S3 Molecules from Electron Propagator Calculations.

J. V. Ortiz, F. Pawłowski, 2021, The journal of physical chemistry. A.

Kβ-to-Kα X-ray intensity ratio studies on the changes of valence electronic structures of Ti, V, Cr, and Co in their disilicide compounds

F. Pawłowski, S. Raj, M. Polasik, 1999 .

Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution

P. Jørgensen, K. Mikkelsen, M. Strange, 2005 .

Formation of ultracold SrYb molecules in an optical lattice by photoassociation spectroscopy: theoretical prospects.

M. Tomza, R. Moszynski, C. Koch, 2011, Physical chemistry chemical physics : PCCP.

Femtosecond two-photon photoassociation of hot magnesium atoms: a quantum dynamical study using thermal random phase wavefunctions.

R. Kosloff, M. Tomza, R. Moszynski, 2012, The Journal of chemical physics.

K β − t o − K α x-ray intensity ratio studies of the valence electronic structure of Fe and Ni in Fe x Ni 1 − x alloys

F. Pawłowski, S. Raj, M. Polasik, 2001 .

Valence electronic structure of Fe and Ni in FexNi1−x alloys from relative K X-ray intensity studies

F. Pawłowski, S. Raj, M. Polasik, 2000 .

Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density-functional response theory.

Paweł Sałek, Trygve Helgaker, Ove Christiansen, 2006, The Journal of chemical physics.

Cluster perturbation theory. IV. Convergence of cluster perturbation series for energies and molecular properties.

J. Olsen, P. Jørgensen, F. Pawłowski, 2019, The Journal of chemical physics.

Cluster perturbation theory. II. Excitation energies for a coupled cluster target state.

J. Olsen, P. Jørgensen, F. Pawłowski, 2019, The Journal of chemical physics.

Cluster perturbation theory. I. Theoretical foundation for a coupled cluster target state and ground-state energies.

J. Olsen, P. Jørgensen, F. Pawłowski, 2019, The Journal of chemical physics.

Molecular response properties in equation of motion coupled cluster theory: A time-dependent perspective.

J. Olsen, P. Jørgensen, S. Coriani, 2016, The Journal of chemical physics.

Applicability of medium-size basis sets in calculations of molecular dynamic polarisabilities

A. Rizzo, F. Pawłowski, B. Fernández, 2015 .

Applicability of medium-size basis sets in calculation of electric dipole dynamic polarisabilities and first hyperpolarisabilities of non-interacting molecules

A. Rizzo, F. Pawłowski, J. Chmielewska, 2013 .

Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory.

Paweł Sałek, Trygve Helgaker, Simen Reine, 2007, The Journal of chemical physics.

Linear-scaling implementation of molecular electronic self-consistent field theory.

Paweł Sałek, Pekka Manninen, Trygve Helgaker, 2007, The Journal of chemical physics.

Frequency-dependent hyperpolarizabilities of the Ne, Ar, and Kr atoms using the approximate coupled cluster triples model CC3.

P. Jørgensen, Stinne Høst, W. Klopper, 2005, The Journal of chemical physics.

The equilibrium structure of trans-glyoxal from experimental rotational constants and calculated vibration–rotation interaction constants

P. Jørgensen, J. Gauss, R. W. Larsen, 2003 .

Accuracy of spectroscopic constants of diatomic molecules from ab initio calculations

P. Jørgensen, T. Helgaker, W. Klopper, 2003 .

Calculation of frequency-dependent polarizabilities using the approximate coupled-cluster triples model CC3

P. Jørgensen, C. Hättig, Kasper Hald, 2003 .

Aufbau Principle for Diffuse Electrons of Double-Shell Metal Ammonia Complexes: The Case of M(NH3)4@12NH3, M=Li, Be+, B2.

J. V. Ortiz, F. Pawłowski, E. Miliordos, 2020, The journal of physical chemistry. A.

Transition-metal solvated-electron precursors: diffuse and 3d electrons in V(NH3).

J. V. Ortiz, Nuno M. S. Almeida, F. Pawłowski, 2019, Physical chemistry chemical physics : PCCP.

Molecules mimicking atoms: monomers and dimers of alkali metal solvated electron precursors.

J. V. Ortiz, F. Pawłowski, E. Miliordos, 2018, Physical chemistry chemical physics : PCCP.

Excited State Potential Energy Surfaces of Polyenes and Protonated Schiff Bases.

Mikael P. Johansson, Mikael P Johansson, Dage Sundholm, 2009, Journal of chemical theory and computation.

On the performance of long‐range‐corrected density functional theory and reduced‐size polarized LPol‐n basis sets in computations of electric dipole (hyper)polarizabilities of π‐conjugated molecules

Angelika Baranowska-Laczkowska, Robert Zalesny, Wojciech Bartkowiak, 2013, J. Comput. Chem..

Accurate Nonlinear Optical Properties for Small Molecules

Antonio Rizzo, Jürgen Gauss, Sonia Coriani, 2006 .

Cauchy moments of Ne, Ar, and Kr atoms calculated using the approximate coupled cluster triples model CC3

P. Jørgensen, C. Hättig, F. Pawłowski, 2005 .

FT-FIR-spectrum and the ground state constants of D213CO

F. Pawłowski, V. Horneman, J. Lohilahti, 2005 .

The second hyperpolarizability of the N2 molecule calculated using the approximate coupled cluster triples model CC3

P. Jørgensen, C. Hättig, F. Pawłowski, 2005 .

The Cotton-Mouton effect of neon and argon: a benchmark study using highly correlated coupled cluster wave functions.

Antonio Rizzo, Jürgen Gauss, Poul Jørgensen, 2004, The Journal of chemical physics.

Molecular equilibrium structures from experimental rotational constants and calculated vibration–rotation interaction constants

J. Olsen, P. Jørgensen, J. Gauss, 2002 .

Relativistic electron detachment energies and spin–orbit splittings from quasiparticle electron propagator calculations

J. V. Ortiz, F. Pawłowski, 2020 .

Coupled cluster theory on modern heterogeneous supercomputers

Ashleigh L. Barnes, J. Olsen, P. Jørgensen, 2023, Frontiers in Chemistry.

A new generation of non-diagonal, renormalized self-energies for calculation of electron removal energies

F. Pawłowski, Ernest Opoku, J. V. Ortiz, 2023, The Journal of Chemical Physics.