A variety of approaches is presented for the computation of atomic and molecular correlation energies based on the Bethe-Salpeter equation in the framework of the adiabatic-connection fluctuation-dissipation theorem. The performance of the approaches is assessed by computing the total energies of the atoms H-Ne, the atomization energies of the HEAT set of small molecules as well as by determining the bond lengths and harmonic vibrational frequencies of the metal monoxides MO with M = Ca-Zn
26 pagesThe Colle and Salvetti approach [Theoret. Chim. Acta, 37, 329 (1975)] to the calculation of ...
A simplified method of determining the molecular correlation energy by two separate calculations, on...
Interatomic pairwise methods are currently among the most popular and accurate ways to include dispe...
Les fonctionnelles de la densité couramment utilisées ont rencontrées un succès spectaculaire dans l...
We present estimates of the exact correlation energies for 56 small molecules whose experimental ato...
A new local density functional approach for the calculation of correlation energies of many-electron...
We have calculated the correlation energy of the homogeneous electron gas (HEG) and the dissociation...
9 pages, 4 figures (supporting information available)International audienceThe combination of the ma...
A simplified method for molecular correlation energy calculations has been recently proposed (ref. 1...
Author Institution: International Business MachinesWith the ''Laboratory of Molecular Structure and ...
We present nearly-local definitions of the correlation energy density, and its potential and kinetic...
Abstract: The energies that evaluated for atomic and molecular systems have a huge important in thea...
The problem of electron correlation in the field of atomic and molecular structure calculations is b...
An accurate description of electron correlation is essential for the calculation of interaction ener...
Ab initio calculations including electron correlation are still extremely costly except for the smal...
26 pagesThe Colle and Salvetti approach [Theoret. Chim. Acta, 37, 329 (1975)] to the calculation of ...
A simplified method of determining the molecular correlation energy by two separate calculations, on...
Interatomic pairwise methods are currently among the most popular and accurate ways to include dispe...
Les fonctionnelles de la densité couramment utilisées ont rencontrées un succès spectaculaire dans l...
We present estimates of the exact correlation energies for 56 small molecules whose experimental ato...
A new local density functional approach for the calculation of correlation energies of many-electron...
We have calculated the correlation energy of the homogeneous electron gas (HEG) and the dissociation...
9 pages, 4 figures (supporting information available)International audienceThe combination of the ma...
A simplified method for molecular correlation energy calculations has been recently proposed (ref. 1...
Author Institution: International Business MachinesWith the ''Laboratory of Molecular Structure and ...
We present nearly-local definitions of the correlation energy density, and its potential and kinetic...
Abstract: The energies that evaluated for atomic and molecular systems have a huge important in thea...
The problem of electron correlation in the field of atomic and molecular structure calculations is b...
An accurate description of electron correlation is essential for the calculation of interaction ener...
Ab initio calculations including electron correlation are still extremely costly except for the smal...
26 pagesThe Colle and Salvetti approach [Theoret. Chim. Acta, 37, 329 (1975)] to the calculation of ...
A simplified method of determining the molecular correlation energy by two separate calculations, on...
Interatomic pairwise methods are currently among the most popular and accurate ways to include dispe...