COUPLED-CLUSTER APPROACH TO MOLECULAR-STRUCTURE AND SPECTRA - A STEP TOWARD PREDICTIVE QUANTUM-CHEMISTRY

被引：1213

作者：

BARTLETT, RJ

机构：

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1989年 / 93卷 / 05期

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D O I：

10.1021/j100342a008

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：

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页码：1697 / 1708

页数：12

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共 170 条

[1] MBPT AND COUPLED CLUSTER CALCULATION ON THE NEON ATOM WITH NUMERICAL ORBITALS
ADAMOWICZ, L
BARTLETT, RJ
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1987, 31 (01) : 173 - 177
[2] A NUMERICAL MULTICONFIGURATION SELF-CONSISTENT-FIELD METHOD FOR DIATOMIC-MOLECULES
ADAMOWICZ, L
MCCULLOUGH, EA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (05) : 2475 - 2476
[3] 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
[4] COUPLED CLUSTER CALCULATION OF ELECTRON-AFFINITIES OF LIF
ADAMOWICZ, L
BARTLETT, RJ
[J]. CHEMICAL PHYSICS LETTERS, 1986, 129 (02) : 159 - 164
[5] TOWARDS NUMERICAL-SOLUTIONS OF THE SCHRODINGER-EQUATION FOR DIATOMIC-MOLECULES
ADAMOWICZ, L
BARTLETT, RJ
MCCULLOUGH, EA
[J]. PHYSICAL REVIEW LETTERS, 1985, 54 (05) : 426 - 429
[6] OPTIMIZED VIRTUAL ORBITAL SPACE FOR HIGH-LEVEL CORRELATED CALCULATIONS
ADAMOWICZ, L
BARTLETT, RJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (11) : 6314 - 6324
[7] ADAMOWICZ L, 1984, INT J QUANTUM CHEM, P245
[8] ADAMOWICZ L, 1988, J PHYS REV A, V37, P1
[9] ADAMOWICZ L, 1987, J CHEM PHYS, V88, P313
[10] 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

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