Many-body effects of dispersion interaction

被引:67
作者
Donchev, A. G. [1 ]
机构
[1] Algodign LLC, Moscow 123001, Russia
关键词
D O I
10.1063/1.2337283
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
The role of many-body (MB) dispersion forces have been analyzed for strands, films, and cubic lattices in the framework of a model Hamiltonian that allows exact solution of the multiparticle Shrodinger equation. For the systems investigated the MB contribution may be as large as 7% of specific dispersion energy and 11% of solvation energy. Nonadditivity becomes particularly important for aggregation in solution, where its effect may be several times larger than the pairwise contribution. For all systems considered, the three-body Axilrod-Teller approximation was insufficient to predict the magnitude and in some cases even the sign of the full MB effect. (c) 2006 American Institute of Physics.
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页数:5
相关论文
共 22 条
[1]   Interaction of the van der Waals type between three atoms [J].
Axilrod, BM ;
Teller, E .
JOURNAL OF CHEMICAL PHYSICS, 1943, 11 (06) :299-300
[2]   Molecular dynamics study of water clusters, liquid, and liquid-vapor interface of water with many-body potentials [J].
Dang, LX ;
Chang, TM .
JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (19) :8149-8159
[3]   A quantum mechanical polarizable force field for biomolecular interactions [J].
Donchev, AG ;
Ozrin, VD ;
Subbotin, MV ;
Tarasov, OV ;
Tarasov, VI .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2005, 102 (22) :7829-7834
[4]   THE GENERAL THEORY OF VANDERWAALS FORCES [J].
DZYALOSHINSKII, IE ;
LIFSHITZ, EM ;
PITAEVSKII, LP .
ADVANCES IN PHYSICS, 1961, 10 (38) :165-209
[5]   A SMOOTH PARTICLE MESH EWALD METHOD [J].
ESSMANN, U ;
PERERA, L ;
BERKOWITZ, ML ;
DARDEN, T ;
LEE, H ;
PEDERSEN, LG .
JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (19) :8577-8593
[6]  
FINKELSTEIN AM, UNPUB
[7]   Three-body interactions involving clusters and films [J].
Gatica, SM ;
Calbi, MM ;
Cole, MW ;
Velegol, D .
PHYSICAL REVIEW B, 2003, 68 (20)
[8]  
Halgren TA, 1996, J COMPUT CHEM, V17, P490, DOI [10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO
[9]  
2-P, 10.1002/(SICI)1096-987X(199604)17:5/6<616::AID-JCC5>3.0.CO
[10]  
2-X]