Works matching IS 00207608 AND DT 1998 AND VI 69 AND IP 2

Results: 9

Self-consistent Thomas-Fermi-Dirac theory, extended by Gell-Mann and Brueckner correlation, in terms of density n and its two reduced gradients ∇2 n/ n and ∇ n/ n.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 2, p. 145, doi. 10.1002/(SICI)1097-461X(1998)69:2<145::AID-QUA1>3.0.CO;2-V

By:

March, N. H.;
Holas, A.;
Nagy, Á.

Publication type:

Article

Second-order shakeup terms in electron propagator calculations on F2 and H2O2.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 2, p. 175, doi. 10.1002/(SICI)1097-461X(1998)69:2<175::AID-QUA5>3.0.CO;2-S

By:

Ortiz, J. V.

Publication type:

Article

Three-dimensional crystal-orbital calculations on crystallohydrates of mononucleotide salts. III. Valence-split basis sets.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 2, p. 209, doi. 10.1002/(SICI)1097-461X(1998)69:2<209::AID-QUA9>3.0.CO;2-Z

By:

Starikov, E. B.

Publication type:

Article

A parallel Green's operator for multidimensional quantum scattering calculations.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 2, p. 167, doi. 10.1002/(SICI)1097-461X(1998)69:2<167::AID-QUA4>3.0.CO;2-T

By:

Edlund, Åke;
Peskin, Uri

Publication type:

Article

Could alkaline-earth-intercalated fullerites actually be semimetals?

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 2, p. 201, doi. 10.1002/(SICI)1097-461X(1998)69:2<201::AID-QUA8>3.0.CO;2-Z

By:

Starikov, E. B.

Publication type:

Article

Extension of the quantum virial and Hellmann-Feynman theorems to the quantum statistical averages.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 2, p. 159, doi. 10.1002/(SICI)1097-461X(1998)69:2<159::AID-QUA3>3.0.CO;2-U

By:

Popov, Dušan

Publication type:

Article

Electron pairing and chemical bonds: Chemical bonds from the condition of minimum fluctuation of electron pair.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 2, p. 193, doi. 10.1002/(SICI)1097-461X(1998)69:2<193::AID-QUA7>3.0.CO;2-Q

By:

Ponec, Robert

Publication type:

Article

Implementation of gradient-optimization algorithms and force constant computations in BSSE-free direct and conventional SCF approaches.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 2, p. 151, doi. 10.1002/(SICI)1097-461X(1998)69:2<151::AID-QUA2>3.0.CO;2-U

By:

Famulari, A.;
Gianinetti, E.;
Raimondi, M.;
Sironi, M.

Publication type:

Article

Semiclassical self-consistent field perturbation theory for the hydrogen atom in a magnetic field.

Published in:

International Journal of Quantum Chemistry, 1998, v. 69, n. 2, p. 183, doi. 10.1002/(SICI)1097-461X(1998)69:2<183::AID-QUA6>3.0.CO;2-R

By:

Sergeev, Alexei V.;
Goodson, David Z.

Publication type:

Article

Works matching IS 00207608 AND DT 1998 AND VI 69 AND IP 2

Self-consistent Thomas-Fermi-Dirac theory, extended by Gell-Mann and Brueckner correlation, in terms of density n and its two reduced gradients ∇<sup>2</sup> n/ n and ∇ n/ n.

Second-order shakeup terms in electron propagator calculations on F<sub>2</sub> and H<sub>2</sub>O<sub>2</sub>.

Three-dimensional crystal-orbital calculations on crystallohydrates of mononucleotide salts. III. Valence-split basis sets.

A parallel Green's operator for multidimensional quantum scattering calculations.

Could alkaline-earth-intercalated fullerites actually be semimetals?

Extension of the quantum virial and Hellmann-Feynman theorems to the quantum statistical averages.

Electron pairing and chemical bonds: Chemical bonds from the condition of minimum fluctuation of electron pair.

Implementation of gradient-optimization algorithms and force constant computations in BSSE-free direct and conventional SCF approaches.

Semiclassical self-consistent field perturbation theory for the hydrogen atom in a magnetic field.