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ON THE BOYS-BERNARDI METHOD TO CORRECT INTERACTION ENERGIES CALCULATED USING MOLLER-PLESSET PERTURBATION-THEORY

被引：28
作者：
COOK, DB
SORDO, TL
SORDO, JA
机构：
[1] UNIV OVIEDO,DEPT QUIM FIS & ANALIT,E-33007 OVIEDO,SPAIN
[2] UNIV SHEFFIELD,DEPT CHEM,SHEFFIELD S3 7HF,S YORKSHIRE,ENGLAND
来源：
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1990年 / 02期
关键词：
D O I：
10.1039/c39900000185
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：185 / 186
页数：2
相关论文
共 4 条
[1]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[2]   Note on an approximation treatment for many-electron systems [J].
Moller, C ;
Plesset, MS .
PHYSICAL REVIEW, 1934, 46 (07) :0618-0622
[3]   A SYSTEMATIC STUDY ON THE BASIS SET SUPERPOSITION ERROR IN THE CALCULATION OF INTERACTION ENERGIES OF SYSTEMS OF BIOLOGICAL INTEREST [J].
SORDO, JA ;
SORDO, TL ;
FERNANDEZ, GM ;
GOMPERTS, R ;
CHIN, S ;
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (11) :6361-6370
[4]   ON THE COUNTERPOISE CORRECTION FOR THE BASIS SET SUPERPOSITION ERROR IN LARGE SYSTEMS [J].
SORDO, JA ;
CHIN, S ;
SORDO, TL .
THEORETICA CHIMICA ACTA, 1988, 74 (02) :101-110
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