Add to ORKGHartree-Fock calculation method as zero-order approximation for determining atomic and molecular second-order propertie
In the Hartree-Fock approximation the correlation between the motions of different electrons is larg...
The Hartree-Fock perturbative approach to second-order properties is developed in terms of the uncou...
Abstract Ab i n i t i o s p i n -U n r e s t r i c t e d Hartree-Fock c a l c u l a t i o n s a r e ...
International audienceThis paper presents an a posteriori error analysis of the dis retization metho...
Wave functions with embedded screening constants for quantum mechanical ground state calculations on...
A procedure based on the discretized version of the generator coordinate Hartree-Fock method is intr...
An implementation of the Hartree-Fock (HF) method using a Laguerre-based wavefunction is described a...
The work herein is concerned with developing computational models to understand molecules. The under...
For many years the performance of scientific softwares has been one of the keys to expand the fronti...
Coupled Hartree-Fock approximation for calculating frequency-dependent refractive index of helium ga
We describe perturbative methods for improving finite-basis Hartree-Fock calculations toward the com...
© 2003 American Institute of Physics. The electronic version of this article is the complete one and...
Ab initio methods based on the second-order and higher connected moments, or cumulants, of a referen...
Core and repulsion integrals for Lowdin orthogonalized atomic orbitals in pi-electron system
An efficient nuclear molecular orbital methodology is presented. This approach combines an auxiliary...
In the Hartree-Fock approximation the correlation between the motions of different electrons is larg...
The Hartree-Fock perturbative approach to second-order properties is developed in terms of the uncou...
Abstract Ab i n i t i o s p i n -U n r e s t r i c t e d Hartree-Fock c a l c u l a t i o n s a r e ...
International audienceThis paper presents an a posteriori error analysis of the dis retization metho...
Wave functions with embedded screening constants for quantum mechanical ground state calculations on...
A procedure based on the discretized version of the generator coordinate Hartree-Fock method is intr...
An implementation of the Hartree-Fock (HF) method using a Laguerre-based wavefunction is described a...
The work herein is concerned with developing computational models to understand molecules. The under...
For many years the performance of scientific softwares has been one of the keys to expand the fronti...
Coupled Hartree-Fock approximation for calculating frequency-dependent refractive index of helium ga
We describe perturbative methods for improving finite-basis Hartree-Fock calculations toward the com...
© 2003 American Institute of Physics. The electronic version of this article is the complete one and...
Ab initio methods based on the second-order and higher connected moments, or cumulants, of a referen...
Core and repulsion integrals for Lowdin orthogonalized atomic orbitals in pi-electron system
An efficient nuclear molecular orbital methodology is presented. This approach combines an auxiliary...
In the Hartree-Fock approximation the correlation between the motions of different electrons is larg...
The Hartree-Fock perturbative approach to second-order properties is developed in terms of the uncou...
Abstract Ab i n i t i o s p i n -U n r e s t r i c t e d Hartree-Fock c a l c u l a t i o n s a r e ...