AN EFFICIENT REFORMULATION OF THE CLOSED-SHELL COUPLED CLUSTER SINGLE AND DOUBLE EXCITATION (CCSD) EQUATIONS

被引：1617

作者：

SCUSERIA, GE

JANSSEN, CL

SCHAEFER, HF

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 89卷 / 12期

关键词：

D O I：

10.1063/1.455269

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：7382 / 7387

页数：6

相关论文

共 43 条

[1] ACCURATE NUMERICAL ORBITAL MBPT/CC STUDY OF THE ELECTRON-AFFINITY OF FLUORINE AND THE DISSOCIATION-ENERGY OF HYDROGEN-FLUORIDE
ADAMOWICZ, L
BARTLETT, RJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (12) : 6837 - 6839
[2] THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
AHLRICHS, R
SCHARF, P
EHRHARDT, C
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) : 890 - 898
[3] [Anonymous], STAT MECH
[4] Bartlett R. J., 1984, ADV THEORIES COMPUTA, P127
[5] MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
BARTLETT, RJ
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 : 359 - 401
[6] MANY-BODY PERTURBATION-THEORY, COUPLED-PAIR MANY-ELECTRON THEORY, AND IMPORTANCE OF QUADRUPLE EXCITATIONS FOR CORRELATION PROBLEM
BARTLETT, RJ
PURVIS, GD
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) : 561 - 581
[7] A SYSTEMATIC THEORETICAL-STUDY OF HARMONIC VIBRATIONAL FREQUENCIES - THE SINGLE AND DOUBLE EXCITATION COUPLED CLUSTER (CCSD) METHOD
BESLER, BH
SCUSERIA, GE
SCHEINER, AC
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (01) : 360 - 366
[8] AN ELECTRON PAIR OPERATOR APPROACH TO COUPLED CLUSTER WAVE-FUNCTIONS - APPLICATION TO HE-2, BE-2, AND MG-2 AND COMPARISON WITH CEPA METHODS
CHILES, RA
DYKSTRA, CE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (08) : 4544 - 4556
[9] CIZEK J, 1966, J CHEM PHYS, V45, P4256
[10] Davidson E., 1974, WORLD QUANTUM CHEM, P17

← 1 2 3 4 5 →