ON THE PERFORMANCE OF HIGH-LEVEL CORRELATED SINGLE-REFERENCE METHODS - THE ENERGY, DIPOLE-MOMENT, AND POLARIZABILITY FUNCTIONS OF BH

被引：14

作者：

DIERCKSEN, GHF ^{[1
]}

SADLEJ, AJ ^{[1
]}

机构：

[1] UNIV LUND,S-22100 LUND,SWEDEN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 12期

关键词：

D O I：

10.1063/1.456208

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

页码：7300 / 7305

页数：6

共 32 条

[1]

ALMLOF J, THEORETICAL CHEM

[2] 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

[3]

BARTLETT RJ, 1983, CHEM PHYS LETT, V98, P66, DOI 10.1016/0009-2614(83)80204-8

[4] A STUDY OF THE RELIABILITY OF DIFFERENT MANY-BODY METHODS - POTENTIAL-ENERGY CURVE FOR THE GROUND-STATE OF BE-2 [J].

CERNUSAK, I ;

NOGA, J ;

DIERCKSEN, GHF ;

SADLEJ, AJ .

CHEMICAL PHYSICS, 1988, 125 (2-3) :255-260

[5] COMPARISON OF MBPT AND COUPLED CLUSTER-METHODS WITH FULL CL .2. POLARIZED BASIS-SETS [J].

COLE, SJ ;

BARTLETT, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (02) :873-881

[6] PERTURBATION-THEORY OF THE ELECTRON CORRELATION-EFFECTS FOR ATOMIC AND MOLECULAR-PROPERTIES .6. COMPLETE ACTIVE SPACE (CAS) SCF AND MBPT CALCULATIONS OF ELECTRIC PROPERTIES OF THE FH MOLECULE [J].

DIERCKSEN, GHF ;

KELLO, V ;

ROOS, BO ;

SADLEJ, AJ .

CHEMICAL PHYSICS, 1983, 77 (01) :93-101

[7] FINITE-FIELD MANY-BODY PERTURBATION-THEORY .7. A COMPLETE 4TH-ORDER MBPT STUDY OF MULTIPOLE MOMENTS OF THE CO MOLECULE [J].

DIERCKSEN, GHF ;

SADLEJ, AJ .

CHEMICAL PHYSICS, 1985, 96 (01) :17-41

[8] FINITE-FIELD MANY-BODY PERTURBATION-THEORY .5. QUADRUPOLE-MOMENTS OF FH AND H2O FROM COMPLETE 4TH ORDER MBPT CALCULATIONS [J].

DIERCKSEN, GHF ;

KELLO, V ;

SADLEJ, AJ .

MOLECULAR PHYSICS, 1983, 49 (03) :711-725

[9] PERTURBATION-THEORY OF THE ELECTRON CORRELATION-EFFECTS FOR ATOMIC AND MOLECULAR-PROPERTIES .7. COMPLETE 4TH-ORDER MBPT STUDY OF THE DIPOLE-MOMENT AND DIPOLE POLARIZABILITY OF H2O [J].

DIERCKSEN, GHF ;

KELLO, V ;

SADLEJ, AJ .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (06) :2918-2923

[10]

DIERCKSEN GHF, 1985, CHEM PHYS, V96, P43, DOI 10.1016/0301-0104(85)80194-4

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