CALCULATION OF MOLECULAR ESCA SPECTRA BY MULTIPLE-SCATTERING X-ALPHA METHOD

被引：103

作者：

CONNOLLY, JW

SIEGBAHN, H

GELIUS, U

NORDLING, C

机构：

[1] UNIV FLORIDA,DEPT PHYS,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32601

[2] UPPSALA UNIV,INST PHYS,UPPSALA,SWEDEN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 58卷 / 10期

关键词：

D O I：

10.1063/1.1678983

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：4265 / 4277

页数：13

共 39 条

[11] ELECTRONIC STRUCTURE OF CARBON SUBOXIDE FROM ESCA AND AB INITIO CALCULATIONS [J].

GELIUS, U ;

ALLAN, CJ ;

ALLISON, DA ;

SIEGBAN, H ;

SIEGBAHN, K .

CHEMICAL PHYSICS LETTERS, 1971, 11 (02) :224-+

[12]

GELIUS U, 1972, ELECTRON SPECTROSCOP

[13]

GELIUS U, UNPUBLISHED RESULTS

[14] On the contribution of orbital relaxation to ESCA chemical shifts [J].

Hillier, I. H. ;

Saunders, V. R. ;

Wood, M. H. .

CHEMICAL PHYSICS LETTERS, 1970, 7 (03) :323-324

[15]

JOHNSON K, TO BE PUBLISHED

[16] SCF calculations of the electronic structures of the sulfate and perchlorate ions by the scattered-wave model [J].

Johnson, K. H. ;

Smith, F. C., Jr. .

CHEMICAL PHYSICS LETTERS, 1970, 7 (05) :541-544

[17] SCATTERED-WAVE MODEL FOR ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES OF PERMANGANATE ION [J].

JOHNSON, KH ;

SMITH, FC .

CHEMICAL PHYSICS LETTERS, 1971, 10 (02) :219-+

[18] MULTIPLE-SCATTERING MODEL FOR POLYATOMIC MOLECULES [J].

JOHNSON, KH .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (08) :3085-&

[19] CHEMICAL BONDING OF A MOLECULAR TRANSITION-METAL ION IN A CRYSTALLINE ENVIRONMENT [J].

JOHNSON, KH ;

SMITH, FC .

PHYSICAL REVIEW B, 1972, 5 (03) :831-&

[20] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS [J].

KOHN, W ;

SHAM, LJ .

PHYSICAL REVIEW, 1965, 140 (4A) :1133-&

← 1 2 3 4 →