THEORETICAL DIPOLE-MOMENTS FOR THE 1ST-ROW TRANSITION-METAL HYDRIDES

被引：184

作者：

CHONG, DP ^{[1
]}

LANGHOFF, SR ^{[1
]}

BAUSCHLICHER, CW ^{[1
]}

WALCH, SP ^{[1
]}

机构：

[1] NASA,AMES RES CTR,ADV COMP SCI RES INST,MOFFETT FIELD,CA 94035

来源：

JOURNAL OF CHEMICAL PHYSICS | 1986年 / 85卷 / 05期

关键词：

D O I：

10.1063/1.451044

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：2850 / 2860

页数：11

共 44 条

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EHRHARDT, C .

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[2] THE IMPACT OF HIGHER POLARIZATION BASIS FUNCTIONS ON MOLECULAR AB-INITIO RESULTS .2. THE GROUND-STATES OF CO, N-2 NO, O-2, AND F2 [J].

AHLRICHS, R ;

SCHARF, P ;

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CHEMICAL PHYSICS, 1985, 98 (03) :381-386

[3] HARTREE-FOCK WAVEFUNCTIONS OF NOMINAL ACCURACY FOR HE THROUGH RB+ CALCULATED BY EXPANSION METHOD [J].

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GILBERT, TL ;

ROOTHAAN, CC .

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[4] ON THE D-BOND IN SCH [J].

BAUSCHLICHER, CW ;

WALCH, SP .

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[5]

BAUSCHLICHER CW, 1986, QUANTUM CHEM CHALLEN

[6]

BENDER CF, 1971, J CHEM PHYS, V55, P7498

[7] A THEORETICAL-STUDY OF NIH - OPTICAL-SPECTRUM AND POTENTIAL CURVES [J].

BLOMBERG, MRA ;

SIEGBAHN, PEM ;

ROOS, BO .

MOLECULAR PHYSICS, 1982, 47 (01) :127-143

[8] ELECTRONIC WAVEFUNCTIONS FOR ATOMS .3. PARTITION OF DEGENERATE SPACES AND GROUND STATE OF C [J].

BUNGE, A .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) :20-&

[9] A MODIFIED COUPLED PAIR FUNCTIONAL-APPROACH [J].

CHONG, DP ;

LANGHOFF, SR .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (10) :5606-5610

[10]

Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1

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