SPIN-DENSITIES OF 1ST-ROW ATOMS CALCULATED FROM POLARIZATION-WAVE FUNCTIONS WITH ACCURATE NUMERICAL-METHODS

被引：37

作者：

CHIPMAN, DM

机构：

来源：

PHYSICAL REVIEW A | 1989年 / 39卷 / 02期

关键词：

D O I：

10.1103/PhysRevA.39.475

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：475 / 480

页数：6

共 27 条

[1] STUDY OF CONTACT-TERM CONTRIBUTION TO HYPERFINE STRUCTURE OBTAINED FROM SPIN-UNRESTRICTED HARTREE-FOCK WAVE FUNCTIONS [J].

BAGUS, PS ;

LIU, B ;

SCHAEFER, HF .

PHYSICAL REVIEW A-GENERAL PHYSICS, 1970, 2 (03) :555-&

[2] THEORETICAL-STUDY OF THE PROPERTIES OF METHYL RADICAL [J].

CHIPMAN, DM .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) :3112-3132

[3] COMMENT ON ABINITIO CALCULATION OF SPIN-DENSITIES IN HYDROCARBON RADICALS [J].

CHIPMAN, DM .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (07) :4785-4786

[4] ABINITIO CALCULATION OF SPIN-DENSITIES IN HYDROCARBON RADICALS [J].

CHIPMAN, DM .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (02) :761-768

[5] AB-INITIO STUDY OF ELECTRONIC-STRUCTURE AND HYPERFINE COUPLING IN SIMPLE HYDROCARBON RADICALS .1. TEST OF CALCULATION METHOD ON METHYL AND VINYL [J].

ELLINGER, Y ;

RASSAT, A ;

SUBRA, R ;

BERTHIER, G .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (01) :1-9

[6] A MULTIREFERENCE CL DETERMINATION OF THE ISOTROPIC HYPERFINE CONSTANTS FOR 1ST ROW ATOMS B-F [J].

FELLER, D ;

DAVIDSON, ER .

JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (12) :7580-7587

[7] DIFFICULTIES IN ABINITIO CI CALCULATIONS OF THE HYPERFINE-STRUCTURE OF SMALL RADICALS [J].

FELLER, D ;

DAVIDSON, ER .

THEORETICA CHIMICA ACTA, 1985, 68 (01) :57-67

[8]

Fischer C. F., 1970, Computer Physics Communications, V1, P151, DOI 10.1016/0010-4655(70)90002-0

[9]

FISCHER CF, 1972, COMPUT PHYS COMMUN, V4, P107

[10]

FISCHER CF, 1978, COMPUT PHYS COMMUN, V14, P145, DOI DOI 10.1016/0010-4655(78)90057-7

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