ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .4. POTENTIAL-ENERGY CURVES FOR THE GROUND AND SEVERAL EXCITED-STATES OF AU2

被引：73

作者：

ERMLER, WC

LEE, YS

PITZER, KS

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

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

来源：

JOURNAL OF CHEMICAL PHYSICS | 1979年 / 70卷 / 01期

关键词：

D O I：

10.1063/1.437189

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：293 / 298

页数：6

共 29 条

[21] POTENTIAL-ENERGY CURVES OF THE GROUND, EXCITED, AND IONIZED STATES OF AR-2 STUDIED BY THE SYMMETRY ADAPTED CLUSTER-CONFIGURATION INTERACTION THEORY
MIZUKAMI, Y
NAKATSUJI, H
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (10): : 6084 - 6092
[22] POTENTIAL CURVES FOR THE GROUND AND EXCITED-STATES OF THE NA2 MOLECULE UP TO THE (3S+5P) DISSOCIATION LIMIT - RESULTS OF 2 DIFFERENT EFFECTIVE POTENTIAL CALCULATIONS
MAGNIER, S
MILLIE, P
DULIEU, O
MASNOUSEEUWS, F
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (09): : 7113 - 7125
[23] POTENTIAL-ENERGY CURVES OF M(NP(2)P)CENTER-DOT-RG((2)-UPI) EXCITED-STATES AND M+CENTER-DOT-RG GROUND-STATES (M=LI, NA - RG=HE, NE)
BILILIGN, S
GUTOWSKI, M
SIMONS, J
BRECKENRIDGE, WH
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (11): : 8212 - 8218
[24] AN ABINITIO DESCRIPTION OF THE EXCITED-STATES OF THE REACTION O(3P, 1D) + H2-]OH(2PI,2SIGMA+) + H - AN ATTEMPT TO DESCRIBE SEVERAL POTENTIAL-ENERGY SURFACES WITH CONSTANT ACCURACY
DURAND, G
CHAPUISAT, X
CHEMICAL PHYSICS, 1985, 96 (03) : 381 - 407
[25] THE PLUVINAGE METHOD FOR ALKALI DIMERS .3. POTENTIAL-ENERGY CURVES FOR THE EXCITED-STATES OF NA-2 UP TO THE (3P+3P) DISSOCIATION LIMIT
HENRIET, A
MASNOUSEEUWS, F
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1987, 20 (04) : 671 - 691
[26] CONFIGURATION-INTERACTION CALCULATIONS ON THE X 1-SIGMA+ GROUND-STATE AND LOW-LYING A 1-PI AND 1-DELTA EXCITED-STATES OF THE PN MOLECULE .2. POTENTIAL-ENERGY CURVES OF THE A 1-PI AND 1-DELTA EXCITED-STATES OF PN AND SPECTROSCOPIC PROPERTIES
DEBROUCKERE, G
FELLER, D
KOOT, JJA
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1993, 26 (13) : 1915 - 1934
[27] CONFIGURATION-INTERACTION CALCULATIONS ON THE X(1)SIGMA+ GROUND-STATE AND LOW-LYING A(1)PI AND (1)DELTA EXCITED-STATES OF THE PN MOLECULE .2. POTENTIAL-ENERGY CURVES OF THE A(1)PI AND (1)DELTA EXCITED-STATES OF PN AND SPECTROSCOPIC PROPERTIES (VOL 26, PG 1915, 1993)
DEBROUCKERE, G
FELLER, D
KOOT, JJA
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1993, 26 (16) : 2741 - 2741
[28] Spin-orbit configuration interaction study of potential energy curves and transition probabilities of the mercury hydride molecule and tests of relativistic effective core potentials for Hg, Hg+, and Hg2+
Alekseyev, AB
Liebermann, HP
Buenker, RJ
Hirsch, G
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (12): : 4672 - 4684
[29] Assessment of the Accuracy of Shape-Consistent Relativistic Effective Core Potentials Using Multireference Spin-Orbit Configuration Interaction Singles and Doubles Calculations of the Ground and Low-Lying Excited States of U4+ and U5+
Beck, Eric V.
Brozell, Scott R.
Blaudeau, Jean-Philippe
Burggraf, Larry W.
Pitzer, Russell M.
JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (45): : 12626 - 12631

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