THE NUCLEAR-QUADRUPOLE MOMENT OF N-14 - A THEORETICAL PREDICTION FROM FULL VALENCE SHELL AND FULL CONFIGURATION-INTERACTION ATOMIC WAVE-FUNCTIONS

被引：19

作者：

SCUSERIA, GE ^{[1
]}

SCHAEFER, HF ^{[1
]}

机构：

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

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 07期

关键词：

D O I：

10.1063/1.452905

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：4020 / 4024

页数：5

共 7 条

[1] CLUSTER-ANALYSIS OF THE FULL CONFIGURATION-INTERACTION WAVE-FUNCTIONS OF CYCLIC POLYENE MODELS
PALDUS, J
BOYLE, MJ
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 22 (06) : 1281 - 1305
[2] EXPLANATION OF NUCLEAR-QUADRUPOLE INTERACTION IN N-14 SPHERICAL ATOMIC GROUND-STATE
RAGHUNATHAN, K
ANDRIESSEN, J
RAY, SN
DAS, TP
PHYSICAL REVIEW LETTERS, 1980, 44 (05) : 312 - 315
[3] THE USE OF SYSTEMATIC SEQUENCES OF WAVE-FUNCTIONS FOR ESTIMATING THE COMPLETE BASIS SET, FULL CONFIGURATION-INTERACTION LIMIT IN WATER
FELLER, D
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (09): : 7059 - 7071
[4] ANALYTIC-EXPRESSION OF THE 2ND DERIVATIVES OF ELECTRONIC-ENERGY FOR FULL CONFIGURATION-INTERACTION WAVE-FUNCTIONS
OSAMURA, Y
THEORETICA CHIMICA ACTA, 1989, 76 (02): : 113 - 124
[5] THE N-14 NUCLEAR-QUADRUPOLE COUPLING IN E-C-CYANOMETHANIMINE AND Z-C-CYANOMETHANIMINE - ITS PREDICTION FROM RESTRICTED HARTREE-FOCK WAVE-FUNCTIONS AND ITS EXPERIMENTAL-DETERMINATION BY HIGH-RESOLUTION MICROWAVE SPECTROSCOPY
KRAUSE, H
SUTTER, DH
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1992, 47 (04): : 573 - 582
[6] THE NUCLEAR-QUADRUPOLE MOMENT OF N-14 OBTAINED FROM FINITE-ELEMENT MCHF CALCULATIONS ON N+ (2P3P) P-1
OLSEN, J
SUNDHOLM, D
CHEMICAL PHYSICS LETTERS, 1994, 226 (1-2) : 17 - 21
[7] THE PREDICTION OF NUCLEAR-QUADRUPOLE MOMENTS FROM ABINITIO QUANTUM CHEMICAL STUDIES ON SMALL MOLECULES .1. THE ELECTRIC-FIELD GRADIENTS AT THE N-14 AND H-2 NUCLEI IN N-2, NO, NO+, CN, CN-, HCN, HNC, AND NH3
CUMMINS, PL
BACKSKAY, GB
HUSH, NS
AHLRICHS, R
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (12): : 6908 - 6917

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