SELECTED TOPICS IN ABINITIO COMPUTATIONAL CHEMISTRY IN BOTH VERY SMALL AND VERY LARGE CHEMICAL-SYSTEMS

被引：48

作者：

CLEMENTI, E ^{[1
]}

CORONGIU, G ^{[1
]}

BAHATTACHARYA, D ^{[1
]}

FEUSTON, B ^{[1
]}

FRYE, D ^{[1
]}

PREISKORN, A ^{[1
]}

RIZZO, A ^{[1
]}

XUE, W ^{[1
]}

机构：

[1] CNR, ICQEM, I-56100 PISA, ITALY

来源：

关键词：

D O I：

10.1021/cr00005a003

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：679 / 699

页数：21

共 197 条

[1] AIDA M, UNPUB
[2] PHASE TRANSITION FOR A HARD SPHERE SYSTEM
ALDER, BJ
WAINWRIGHT, TE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (05) : 1208 - 1209
[3] OBTAINING MICROHARTREE ACCURACY FOR 2-ELECTRON SYSTEMS WITH RANDOM-TEMPERED GAUSSIAN-TYPE GEMINALS
ALEXANDER, SA
MONKHORST, HJ
ROELAND, R
SZALEWICZ, K
[J]. JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (06) : 4230 - 4235
[4] ALISON S, 1989, J CHEM PHYS, V90
[5] ALGORITHMS FOR BROWNIAN DYNAMICS
ALLEN, MP
[J]. MOLECULAR PHYSICS, 1982, 47 (03) : 599 - 601
[6] ANDERSON J, 1987, J CHEM PHYS, V85, P2839
[7] SIMPLIFIED SAMPLING IN QUANTUM MONTE-CARLO - APPLICATION TO H-3(+)
ANDERSON, JB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (05) : 2839 - 2843
[8] ANDREONI W, IN PRESS
[9] [Anonymous], 2005, STRUCTURE PROPERTIES
[10] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU
BACHELET, GB
HAMANN, DR
SCHLUTER, M
[J]. PHYSICAL REVIEW B, 1982, 26 (08): : 4199 - 4228