CALCULATION OF CLUSTER GEOMETRIES WITH THE HELP OF HELLMANN-FEYNMAN FORCES

被引：13

作者：

MARTINS, JL

BUTTET, J

CAR, R

机构：

来源：

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 1984年 / 88卷 / 03期

关键词：

D O I：

10.1002/bbpc.19840880312

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

15

引用

收藏

页码：239 / 240

页数：2

相关论文

共 17 条

[1] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU
BACHELET, GB
HAMANN, DR
SCHLUTER, M
[J]. PHYSICAL REVIEW B, 1982, 26 (08): : 4199 - 4228
[2] ELECTRONIC AND GEOMETRIC STRUCTURE OF LI-4 AND NA-4 CLUSTERS
BECKMANN, HO
KOUTECKY, J
BONACICKOUTECKY, V
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (10) : 5182 - 5190
[3] BUTTET J, 1983, HELV PHYS ACTA, V56, P541
[4] PSEUDOPOTENTIAL SPIN-DENSITY-FUNCTIONAL CALCULATION OF THE ELECTRONIC-PROPERTIES OF SMALL LITHIUM AND SODIUM CLUSTERS
CAR, R
MARTINS, JL
[J]. SURFACE SCIENCE, 1981, 106 (1-3) : 280 - 286
[5] PHOTO-IONIZATION AND FRAGMENTATION OF ALKALI-METAL CLUSTERS IN SUPERSONIC MOLECULAR-BEAMS
DELACRETAZ, G
GANIERE, JD
MONOT, R
WOSTE, L
[J]. APPLIED PHYSICS B-PHOTOPHYSICS AND LASER CHEMISTRY, 1982, 29 (01): : 55 - 61
[6] Forces in molecules
Feynman, RP
[J]. PHYSICAL REVIEW, 1939, 56 (04): : 340 - 343
[7] CALCULATION OF EQUILIBRIUM GEOMETRIES AND IONIZATION ENERGIES OF SODIUM CLUSTERS UP TO NA8
FLAD, J
STOLL, H
PREUSS, H
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (07) : 3042 - 3052
[8] DYNAMIC JAHN-TELLER EFFECT IN ELECTRONIC GROUND-STATE OF LI3 - ABINITIO CALCULATION OF BO HYPERSURFACE AND LOWEST VIBRONIC STATES OF LI3
GERBER, WH
SCHUMACHER, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (04) : 1692 - 1703
[9] Hellmann H., 1937, EINFUHRUNG QUANTENCH
[10] PREPARATION AND PHOTOIONIZATION POTENTIALS OF MOLECULES OF SODIUM, POTASSIUM, AND MIXED ATOMS
HERRMANN, A
SCHUMACHER, E
WOSTE, L
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (05) : 2327 - 2336