Using the double-zeta wavefunctions of Snyder and Basch [5], the Weizsacker correction has been evaluated for the molecules H2, HF, BF, N2 and CO. There was no linear correlation between T w and the binding energy for these molecules
$^{*}$ Supported by the United States Air Force Office of Scientific Research. $^{1}$ J. L. Dunham, ...
Two errors in my paper “Wave functions for the methane molecule” [1] are corrected. They concern my ...
In the introductory section, we compare the total, kinetic, nuclear-electron, Coulomb, exchange, and...
Meier states that the small basis sets (6-31G**) used in our survey of 25 density functional theorie...
We argue that the pseudoharmonic potential provides an unsuitable description of the interatomic pot...
In the Hartree-Fock approximation the correlation between the motions of different electrons is larg...
The correction to the JWKB quantization formula for molecular potentials can be understood as corre...
In their Comment about the theoretical treatment of Nandi and Bagchi (referred to as NB)1 on the di...
We extend to strongly correlated molecular systems the recently introduced basis-set incompleteness ...
It is shown that the infima of the Hellmann and the Hellmann-Weizsäcker functional without electron-...
Huffaker and Cohen (ref.1) claim that the perturbedâMorseâoscillator (PMO) model, for the potential ...
Why bother with electron correlation? • HF theory ignores correlation and gives 99 % of the en-ergy ...
International audienceThe dimer of trans-N-methylacetamide serves as a simple model for hydrogen bon...
MP2 describes hydrogen-bonded systems well, yet a higher-order electron correlation correction in th...
In our previous paper [B. T. Sutcliffe and R. G. Woolley, J. Chem. Phys. 137, 22A544 (2012)] we argu...
$^{*}$ Supported by the United States Air Force Office of Scientific Research. $^{1}$ J. L. Dunham, ...
Two errors in my paper “Wave functions for the methane molecule” [1] are corrected. They concern my ...
In the introductory section, we compare the total, kinetic, nuclear-electron, Coulomb, exchange, and...
Meier states that the small basis sets (6-31G**) used in our survey of 25 density functional theorie...
We argue that the pseudoharmonic potential provides an unsuitable description of the interatomic pot...
In the Hartree-Fock approximation the correlation between the motions of different electrons is larg...
The correction to the JWKB quantization formula for molecular potentials can be understood as corre...
In their Comment about the theoretical treatment of Nandi and Bagchi (referred to as NB)1 on the di...
We extend to strongly correlated molecular systems the recently introduced basis-set incompleteness ...
It is shown that the infima of the Hellmann and the Hellmann-Weizsäcker functional without electron-...
Huffaker and Cohen (ref.1) claim that the perturbedâMorseâoscillator (PMO) model, for the potential ...
Why bother with electron correlation? • HF theory ignores correlation and gives 99 % of the en-ergy ...
International audienceThe dimer of trans-N-methylacetamide serves as a simple model for hydrogen bon...
MP2 describes hydrogen-bonded systems well, yet a higher-order electron correlation correction in th...
In our previous paper [B. T. Sutcliffe and R. G. Woolley, J. Chem. Phys. 137, 22A544 (2012)] we argu...
$^{*}$ Supported by the United States Air Force Office of Scientific Research. $^{1}$ J. L. Dunham, ...
Two errors in my paper “Wave functions for the methane molecule” [1] are corrected. They concern my ...
In the introductory section, we compare the total, kinetic, nuclear-electron, Coulomb, exchange, and...