Prediction of dispersion forces: Is there a problem?

被引：142

作者：

Dobson, JF ^{[1
]}

McLennan, K

Rubio, A

Wang, J

Gould, T

Le, HM

Dinte, BP

机构：

[1] Griffith Univ, Sch Sci, Brisbane, Qld 4111, Australia

[2] Griffith Univ, Res Ctr Modelling & Computat, Brisbane, Qld 4111, Australia

[3] Univ Basque Country, Euskal Herriko Unibertsitatea, Ctr Mixto CSIC, Fac Quim,Dept Fis Mat, San Sebastian 20018, Spain

[4] Donostia Int Phys Ctr, San Sebastian 20018, Spain

来源：

AUSTRALIAN JOURNAL OF CHEMISTRY | 2001年 / 54卷 / 08期

关键词：

D O I：

10.1071/CH01052

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We discuss the ability of a number of standard and non-standard computational techniques to reproduce dispersion forces, using examples from the literature as well as some new examples. We conclude that there are still some cases where standard methods are not so far successful. There are some promising directions under study, however.

引用

页码：513 / 527

页数：15

共 72 条

[1] AN EXACT QUANTUM MONTE-CARLO CALCULATION OF THE HELIUM HELIUM INTERMOLECULAR POTENTIAL [J].