IMPROVED ABINITIO EFFECTIVE POTENTIALS FOR AR, KR, AND XE WITH APPLICATIONS TO THEIR HOMONUCLEAR DIMERS

被引：64

作者：

CHRISTIANSEN, PA

PITZER, KS

LEE, YS

YATES, JH

ERMLER, WC

WINTER, NW

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720

[2] UNIV CHICAGO,JAMES FRANCK INST,DEPT CHEM,CHICAGO,IL 60637

[3] STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030

[4] UNIV CALIF LAWRENCE LIVERMORE LAB,THEORET & MOLEC PHYS GRP,LIVERMORE,CA 94550

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 75卷 / 11期

关键词：

D O I：

10.1063/1.441941

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：5410 / 5415

页数：6

共 16 条

[1] ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .1.
BONIFACIC, V
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) : 2779 - 2786
[2] IMPROVED ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS
CHRISTIANSEN, PA
LEE, YS
PITZER, KS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (11) : 4445 - 4450
[3] ELECTRONIC-STRUCTURE FOR THE GROUND-STATE OF T1H FROM RELATIVISTIC MULTICONFIGURATION SCF CALCULATIONS
CHRISTIANSEN, PA
PITZER, KS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (10) : 5160 - 5163
[4] A STUDY OF THE ACCURACY OF THE PSEUDOPOTENTIAL FORMALISM
DAS, G
[J]. CHEMICAL PHYSICS LETTERS, 1980, 71 (02) : 202 - 206
[5] MODIFIED PSEUDOPOTENTIAL APPROACH TO HEAVY-ATOMIC MOLECULAR SYSTEMS - APPLICATION TO X2-SIGMA+1-2,A2-PI1-2, AND A2-PI3-2 STATES OF HGH MOLECULE
DAS, G
WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (11) : 4672 - 4679
[6] MULTICONFIGURATION RELATIVISTIC DIRAC-FOCK PROGRAM
DESCLAUX, JP
[J]. COMPUTER PHYSICS COMMUNICATIONS, 1975, 9 (01) : 31 - 45
[7] ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .2. POTENTIAL-ENERGY CURVES FOR XE-2, XE+2, AND XE-STAR-2
ERMLER, WC
LEE, YS
PITZER, KS
WINTER, NW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (03) : 976 - 983
[8] FISCHER CF, 1977, HARTREE FOCK METHOD, pCH2
[9] MODEL POTENTIAL SCF CALCULATIONS ON CL2, BR2, AND I2
GROPEN, O
HUZINAGA, S
MCLEAN, AD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (01) : 402 - 406
[10] ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS .2. ALL-ELECTRON COMPARISONS AND MODIFICATIONS OF PROCEDURE
HAY, PJ
WADT, WR
KAHN, LR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (07) : 3059 - 3066

← 1 2 →