MOLLER-PLESSET TREATMENT OF ELECTRON CORRELATION-EFFECTS IN (HOHOH)-

被引：94

作者：

SZCZESNIAK, MM ^{[1
]}

SCHEINER, S ^{[1
]}

机构：

[1] SO ILLINOIS UNIV, DEPT CHEM & BIOCHEM, CARBONDALE, IL 62901 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1982年 / 77卷 / 09期

关键词：

D O I：

10.1063/1.444410

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：4586 / 4593

页数：8

共 40 条

[11] 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

[12]

Davidson E., 1974, WORLD QUANTUM CHEM, P17

[13] STUDY OF H+ AND OH- HYDRATED IONS BY CNDO/2 METHOD [J].

DEPAZ, M ;

EHRENSON, S ;

FRIEDMAN, L .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (07) :3362-&

[14] TANDEM-MASS-SPECTROMETER STUDY OF SOLVATED DERIVATIVES OF OD-. TOTAL HYDRATION ENERGY OF PROTON [J].

DEPAZ, M ;

GIARDINI, AG ;

FRIEDMAN, L .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (02) :687-&

[15] SCF-CI STUDIES OF CORRELATION EFFECTS ON HYDROGEN-BONDING AND ION HYDRATION - SYSTEMS - H2O,H+ . H2O, LI+ . H2O, F- . H2O, AND H2O . H2O [J].

DIERCKSEN, GHF ;

KRAEMER, WP ;

ROOS, BO .

THEORETICA CHIMICA ACTA, 1975, 36 (04) :249-274

[16] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[17] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].

HARIHARA.PC ;

POPLE, JA .

THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222

[18] ION THERMOCHEMISTRY AND SOLVATION FROM GAS-PHASE ION EQUILIBRIA [J].

KEBARLE, P .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1977, 28 :445-476

[19] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS [J].

KRISHNAN, R ;

BINKLEY, JS ;

SEEGER, R ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :650-654

[20] CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE [J].

LANGHOFF, SR ;

DAVIDSON, ER .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (01) :61-72

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