MBPT STUDIES OF VANDERWAALS MOLECULES .3. THE RELIABILITY OF APPARENTLY ACCURATE CALCULATIONS FOR THE MAGNESIUM DIMER

被引:36
作者
DIERCKSEN, GHF [1 ]
KELLO, V [1 ]
SADLEJ, AJ [1 ]
机构
[1] UNIV LUND,CTR CHEM,S-22100 LUND,SWEDEN
关键词
D O I
10.1016/0301-0104(86)85102-3
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
引用
收藏
页码:55 / 74
页数:20
相关论文
共 66 条
[1]  
[Anonymous], 1969, Advances in Chemical Physics, DOI 10.1002/9780470143599.ch2
[2]   ADSORPTION SPECTRUM OF MG2 MOLECULE [J].
BALFOUR, WJ ;
DOUGLAS, AE .
CANADIAN JOURNAL OF PHYSICS, 1970, 48 (07) :901-&
[3]   MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES [J].
BARTLETT, RJ .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 :359-401
[4]   MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM [J].
BARTLETT, RJ ;
PURVIS, GD .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) :561-581
[5]  
BJORKMAN CH, UNPUB
[6]  
BLOMBERG M, 1980, INT J QUANTUM CHEM, V14, P229
[7]   BERYLLIUM DIMER, A CRITICAL TEST CASE OF MBPT AND CI METHODS [J].
BLOMBERG, MRA ;
SIEGBAHN, PEM .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) :583-592
[8]   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-&
[9]   THE (H-2)2 POTENTIAL SURFACE AND THE INTERACTION BETWEEN HYDROGEN MOLECULES AT LOW-TEMPERATURES [J].
BURTON, PG ;
SENFF, UE .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) :6073-6087
[10]   AN ELECTRON PAIR OPERATOR APPROACH TO COUPLED CLUSTER WAVE-FUNCTIONS - APPLICATION TO HE-2, BE-2, AND MG-2 AND COMPARISON WITH CEPA METHODS [J].
CHILES, RA ;
DYKSTRA, CE .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (08) :4544-4556