THE ELECTRONIC-STRUCTURE OF NICO - A NEW PREDICTION FOR THE GROUND-STATE

被引：78

作者：

RIVES, AB

FENSKE, RF

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 75卷 / 03期

关键词：

D O I：

10.1063/1.442132

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：1293 / 1302

页数：10

共 20 条

[1] ELECTRON ENERGY-LOSS SPECTRA OF CO-ADSORBED NI(100) SURFACES [J].

AKIMOTO, K ;

SAKISAKA, Y ;

NISHIJIMA, M ;

ONCHI, M .

SURFACE SCIENCE, 1979, 88 (01) :109-120

[2] NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE [J].

BENDER, CF ;

DAVIDSON, ER .

JOURNAL OF PHYSICAL CHEMISTRY, 1966, 70 (08) :2675-&

[3] THEORETICAL INVESTIGATION OF GROUND AND CORE HOLE STATES OF LINEAR AND BENT NICO - PROTOTYPE FOR CO ADSORBED ON NICKEL [J].

CLARK, DT ;

CROMARTY, BJ ;

SGAMELLOTTI, A .

CHEMICAL PHYSICS LETTERS, 1978, 55 (03) :482-487

[4] PREPARATION AND IDENTIFICATION OF INTERMEDIATE CARBONYLS OF NICKEL AND TANTALUM BY MATRIX ISOLATION [J].

DEKOCK, RL .

INORGANIC CHEMISTRY, 1971, 10 (06) :1205-&

[5]

Dunning T., 1977, METHODS ELECT STRUCT, P1

[6] APPLICATION OF HARTREE-FOCK AND CONFIGURATION INTERACTION CALCULATIONS TO TRANSITION-METAL NITROSYLS [J].

FENSKE, RF ;

JENSEN, JR .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (08) :3374-3382

[7]

Gershgorn Z., 1968, INT J QUANTUM CHEM, V2, P751

[8] GENERALIZED MOLECULAR-ORBITAL THEORY [J].

HALL, MB .

CHEMICAL PHYSICS LETTERS, 1979, 61 (03) :461-464

[9] GENERALIZED-MOLECULAR-ORBITAL THEORY - SIMPLE MULTICONFIGURATION SELF-CONSISTENT-FIELD METHOD [J].

HALL, MB .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) :613-621

[10] GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS - REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS [J].

HAY, PJ .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (10) :4377-4384

← 1 2 →