Works matching IS 00207608 AND DT 1988 AND VI 34 AND IP 6

Results: 9

Thomas-Fermi theory from a perturbative treatment of the hydrogenic limit energy density functional: A possible link to local density functional theory.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 6, p. 509, doi. 10.1002/qua.560340604

By:

Bartolotti, Libero J.;
Parr, Robert G.;
Tal, Yoram

Publication type:

Article

Theoretical investigation of the Na<sup>+</sup> + H<sub>2</sub> system. III. Trajectory calculations of vibrationally inelastic collision processes.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 6, p. 559, doi. 10.1002/qua.560340608

By:

Zuhrt, Christian;
Jeziorek, Danuta;
Żurawski, Bronislav

Publication type:

Article

A measure of the error in wave functions.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 6, p. 505, doi. 10.1002/qua.560340603

By:

Fraga, Serafin

Publication type:

Article

A coupled-cluster method for quasidegenerate states.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 6, p. 535, doi. 10.1002/qua.560340607

By:

Meissner, L.;
Jankowski, K.;
Wasilewski, J.

Publication type:

Article

Structure of consistent ground state: Re-derivation of RPA vacuum and inclusion of higher RPA effects.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 6, p. 489, doi. 10.1002/qua.560340602

By:

Toyoda, Kaoru

Publication type:

Article

An interaction potential between an alanine zwitterion and a water molecule based on ab initio calculations.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 6, p. 527, doi. 10.1002/qua.560340606

By:

Ni, Xiangshan;
Shi, Xiufan;
Ling, Lunjiang

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1988, v. 34, n. 6, p. fmi, doi. 10.1002/qua.560340601
Publication type:: Article

The use of symmetry in reciprocal space integrations. Asymmetric units and weighting factors for numerical integration procedures in any crystal symmetry.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 6, p. 571, doi. 10.1002/qua.560340609

By:

Ramirez, Rafael;
Böhm, Michael C.

Publication type:

Article

Molecular conformations and molecular shape: A discrete characterization of continua of van der Waals surfaces.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 6, p. 517, doi. 10.1002/qua.560340605

By:

Arteca, Gustavo A.;
Mezey, Paul G.

Publication type:

Article