State of the art and challenges of the ab initio theory of intermolecular interactions

被引：481

作者：

Chalasinski, G

Szczesniak, MM

机构：

[1] Univ Warsaw, Dept Chem, PL-02093 Warsaw, Poland

[2] Oakland Univ, Dept Chem, Rochester, MI 48309 USA

来源：

CHEMICAL REVIEWS | 2000年 / 100卷 / 11期

关键词：

D O I：

10.1021/cr990048z

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The recent progress in the field of intermolecular interactions is reviewed. First, the current state of the ab initio theory of van der Waals interactions is discussed. Further, some persisting challenges, as well as new avenues, are presented.

引用

页码：4227 / 4252

页数：26

共 222 条

[1]

Adams WH, 1996, INT J QUANTUM CHEM, V60, P273, DOI 10.1002/(SICI)1097-461X(1996)60:1<273::AID-QUA28>3.0.CO

[2]

2-E

[3] ADIABATIC AND APPROXIMATE DIABATIC POTENTIAL-ENERGY SURFACES FOR THEB...H2 VAN-DER-WAALS MOLECULE [J].

ALEXANDER, MH .

JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (08) :6014-6026

[4] THEORETICAL-STUDIES OF HE(S-1)+CH(CHI-PI-2) .2. FULLY AB-INITIO CROSS-SECTIONS FOR THE INELASTIC-SCATTERING AND COMPARISON WITH EXPERIMENT [J].

ALEXANDER, MH ;

KEARNEY, WR ;

WAGNER, AF .

JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (02) :1338-1349

[5] A new, fully ab initio investigation of the NO(X 2Π)Ar system.: I.: Potential energy surfaces and inelastic scattering [J].

Alexander, MH .

JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (16) :7426-7434

[6] POTENTIAL-ENERGY SURFACES FOR THE INTERACTION OF CH(X (2)PI,B (2)SIGMA(-)) WITH AR AND AN ASSIGNMENT OF THE STRETCH-BEND LEVELS OF THE ARCH(B) VAN-DER-WAALS MOLECULE [J].

ALEXANDER, MH ;

GREGURICK, S ;

DAGDIGIAN, PJ ;

LEMIRE, GW ;

MCQUAID, MJ ;

SAUSA, RC .

JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (06) :4547-4560

[7] Spin-orbit effects in the reaction of F(2P) with H2 [J].

Alexander, MH ;

Werner, HJ ;

Manolopoulos, DE .

JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (14) :5710-5713

[8] Theoretical investigation of weakly-bound complexes of O(3P) with H2 [J].

Alexander, MH .

JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (11) :4467-4477

[9] Infrared spectroscopy and time-resolved dynamics of the ortho-H2-OH entrance channel complex [J].

Anderson, DT ;

Schwartz, RL ;

Todd, MW ;

Lester, MI .

JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (09) :3461-3473

[10]

[Anonymous], ADV QUANTUM CHEM

← 1 2 3 4 5 6 7 8 9 10 →