C. F. Bunge

发表

Present Status of Selected Configuration Interaction With Truncation Energy Error

C. F. Bunge, 2017 .

Recent Progress in the Variational Orbital Approach to Atomic and Molecular Electronic Structure

C. F. Bunge, César X. Almora-Díaz, Herzain I. Rivera-Arrieta, 2016 .

Select-divide-and-conquer method for large-scale configuration interaction.

R. Carbó-Dorca, C. F. Bunge, 2006, The Journal of chemical physics.

Calculations of atomic electron affinities

A. Bunge, C. F. Bunge, 2009 .

The Present Limits of Accuracy in Atomic Calculations of Small Systems

C. F. Bunge, 1980 .

Fast eigensolver for dense real-symmetric matrices

C. F. Bunge, 2001 .

Relativistic electronic structure calculations with positive-energy and negative-energy orbitals

E. Ley-Koo, R. Jáuregui, C. F. Bunge, 2000 .

Upper and Lower Bounds to the Eigenvalues of Double‐Minimum Potentials

A. Bunge, C. F. Bunge, 1965 .

Towards accurate numerical tests of atomic structure theory

C. F. Bunge, 1976 .

Systematic search of excited states of negative ions lying above the ground state of the neutral atom

A. Bunge, R. Jáuregui, M. Galán, 1982 .

Electronic wave functions for atoms

C. F. Bunge, 1970 .

Salient Features of Electric and Magnetic Multipole Transition Probabilities of Hydrogen-Like Systems

C. F. Bunge, O. Jitrik, 2004 .

Electronic Wave Functions for Atoms. IV. Ground State of Ne

E. Peixoto, C. F. Bunge, 1970 .

Unrestricted projected Hartree-Fock solutions for two-electron systems.

C. F. Bunge, 1967 .

Symmetry-eigenfunctions for many-electron atoms and molecules: A unified and friendly approach for frontier research and student training

A. Bunge, R. Jáuregui, C. F. Bunge, 1989, Comput. Chem..

Improved calculation of the electron affinity of He 1s2s /sup 3/S

A. Bunge, C. F. Bunge, 1984 .

Electron affinity of helium ( 1 s 2 s ) S 3

A. Bunge, C. F. Bunge, 1979 .

ELASTIC AND INELASTIC ELECTRON SCATTERING BY He AND Ne ATOMS IN THEIR GROUND STATES.

R. Bonham, E. Peixoto, C. F. Bunge, 1969 .

The (2p2)3P state of H− and the convergence of the CI series

R. Jáuregui, C. F. Bunge, 1979 .

Roothaan-Hartree-Fock Ground-State Atomic Wave Functions: Slater-Type Orbital Expansions and Expectation Values for Z = 2-54

Annik Vivier Bunge, A. Bunge, J. Barrientos, 1993 .

Identification of Bound States of Core-Excited Negative Lithium Atoms in Beam-Foil Experiments

C. F. Bunge, 1980 .

Configuration-interaction studies of transition energies and oscillator strengths for the lowest quartet states of neutral lithium

A. Bunge, C. F. Bunge, 1978 .

Cracking Electron Correlation

C. F. Bunge, 2005 .

Angular momentum eigenfunctions for many-electron calculations

Gerardo Cisneros, Carlos F. Bunge, Rocio Jáuregui, 1989, Comput. Chem..

The calculation of atomic structures

A. Bunge, C. F. Bunge, 1992 .

Energy-Optimized Spin Orbitals in Accurate Electronic Calculations

C. F. Bunge, 1973 .

Selected configuration interaction with truncation energy error and application to the Ne atom.

C. F. Bunge, 2006, The Journal of chemical physics.

Symmetric dissociation of the water molecule with truncation energy error. A benchmark study.

C. F. Bunge, César X. Almora-Díaz, A. Ramírez‐Solís, 2019, Physical chemistry chemical physics : PCCP.

Configuration interaction benchmark for Be ground state

C. F. Bunge, 2010 .

Relativistic X‐ray Elastic Scattering Factors for He–Ar from Dirac–Hartree–Fock Wave Functions

R. Jáuregui, Jiahu Wang, C. F. Bunge, 1996 .

Accurate determination of the total electronic energy of the Be ground state

C. F. Bunge, 1976 .

Atomic radiative transition probabilities using negative-energy orbitals in fully variational wave functions

C. F. Bunge, O. Jitrik, 2005 .

Reduced first order density matrix for the Be ground state

C. F. Bunge, 1977 .

A priori selected configuration interaction with truncation energy error, general sensitivity analysis and application to the Ne atom

C. F. Bunge, 2010 .

Towards a modular system in computational quantum chemistry

Gerardo Cisneros, Carlos F. Bunge, C. F. Bunge, 2009 .

DVDSON: A subroutine to evaluate selected sets of eigenvalues and eigenvectors of large symmetric matrices

Gerardo Cisneros, Carlos F. Bunge, Manuel Berrondo, 1986, Comput. Chem..

An improved computer program for eigenvectors and eigenvalues of large configuration interaction matrices using the algorithm of Davidson

Gerardo Cisneros, Carlos F. Bunge, C. F. Bunge, 1984, Comput. Chem..

Chapter Four - Specifics on the Scientific Legacy of Per-Olov Löwdin

C. F. Bunge, 2017 .

Electronic Wave Functions for Atoms. I. Ground State of Be

C. F. Bunge, 1968 .

Transition Probabilities for Hydrogen-Like Atoms

C. F. Bunge, O. Jitrik, 2004 .

Accurate calculations for the even-parity core-excited 2 P states of neutral Li

C. F. Bunge, 1979 .

Absolute term values for the quartet states of neutral lithium

A. Bunge, C. F. Bunge, 1978 .

Emission spectrum of core-excited Li doublets

R. Jáuregui, C. F. Bunge, 1981 .

The excited 4Po and 4P states of lithium

C. F. Bunge, 1981 .

Nonrelativistic energy of the ground state of Li - and the electron affinity of lithium

James S. Sims, Stanley A. Hagstrom, David Munch, 1976 .

Variational Incorporation of Negative-Energy Orbitals in Relativistic Electronic Structure Calculations

E. Ley-Koo, C. F. Bunge, Rocio Juregui, 2000 .

OPTIMAL DECOUPLING OF POSITIVE- AND NEGATIVE-ENERGY ORBITALS IN RELATIVISTIC ELECTRONIC STRUCTURE CALCULATIONS BEYOND HARTREE-FOCK

E. Ley-Koo, R. Jáuregui, C. F. Bunge, 1998 .

Use of truncated taylor series for r–112 in electronic structure calculations

E. Ley-Koo, C. F. Bunge, 2009 .

Justification of relativistic Dirac-Hartree-Fock and configuration interaction

E. Ley-Koo, R. Jáuregui, C. F. Bunge, 2000 .

Atomic configuration interaction and studies of He, Li, Be, and Ne ground states

C. F. Bunge, O. Jitrik, 1997 .

Nonrelativistic CI Calculations for B + ,B , and B − Ground States

C. F. Bunge, César X. Almora-Díaz, 2010 .

New method to evaluate atomic electron-repulsion integrals

E. Ley-Koo, C. F. Bunge, 1990 .

Evaluation of relativistic atomic integrals using perimetric coordinates

E. Ley-Koo, R. Jáuregui, C. F. Bunge, 1997 .

Core-excited bound states of negative lithium

C. F. Bunge, 1980 .

Theoretical studies of core-excited states of two- and three-electron atoms

M. Galán, C. F. Bunge, 1981 .

Comparison within the algebraic approximation of configuration interaction and many-body perturbation theory for the Be ground state

Stephen Wilson, D. Silver, C. F. Bunge, 1979 .

Comment on "Calculations on the 2 S ground state of the lithium atom using wave functions of the Hylleraas type"

C. F. Bunge, 1977 .

Approximate quantum mechanical method for describing excitations and related properties of finite single-walled carbon nanotubes

E. Menéndez-Proupin, W. Orellana, L. Montero, 2010 .

Hartree-Fock and Roothaan-Hartree-Fock energies for the ground states of He through Xe.

A. Bunge, J. Barrientos, Bunge, 1992, Physical review. A, Atomic, molecular, and optical physics.

Correlation energy of the ground state of C

A. Bunge, C. F. Bunge, 1970 .

Symmetry eigenfunctions suitable for many-electron theories and calculations. I. Mainly atoms

A. Bunge, C. F. Bunge, 1973 .

Eigenfunctions of spin and orbital angular momentum by the projection operator technique

A. Bunge, C. F. Bunge, 1971 .