OPTIMIZED MEAN FIELDS FOR ATOMS .5. G-HARTREE ABINITIO CALCULATION OF IONIZATION ENERGIES

被引：15

作者：

DIETZ, K ^{[1
]}

OHNO, M ^{[1
]}

WEYMANS, G ^{[1
]}

机构：

[1] BAYER AG, ZENT FORSCH & ENTWICKLUNG, D-5090 LEVERKUSEN, GERMANY

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1986年 / 19卷 / 19期

关键词：

D O I：

10.1088/0022-3700/19/19/014

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：2995 / 3010

页数：16

共 69 条

[1]

ALMBLADH CO, 1984, DENSITY FUNCTIONAL M

[2] THE CALCULATION OF IONIZATION ENERGIES BY PERTURBATION, CONFIGURATION-INTERACTION AND APPROXIMATE COUPLED PAIR TECHNIQUES AND COMPARISONS WITH GREEN-FUNCTION METHODS FOR NE, H2O AND N-2 [J].

BACSKAY, GB .

CHEMICAL PHYSICS, 1980, 48 (01) :21-38

[3] SELF-CONSISTENT-FIELD WAVE FUNCTIONS FOR HOLE STATES OF SOME NE-LIKE AND AR-LIKE IONS [J].

BAGUS, PS .

PHYSICAL REVIEW, 1965, 139 (3A) :A619-&

[4] SPECTROSCOPIC STUDIES WITH A MULTICONFIGURATION DIRAC-FOCK PROGRAM [J].

BEATHAM, N ;

GRANT, IP ;

MCKENZIE, BJ ;

ROSE, SJ .

PHYSICA SCRIPTA, 1980, 21 (3-4) :423-431

[5]

BECK DR, 1978, EXCITED STATES QUANT, P329

[6] AUTO-IONIZATION STATES OF LI, BE+, B-2+, AND C-3+ [J].

BHATIA, AK .

PHYSICAL REVIEW A, 1978, 18 (06) :2523-2526

[7] DETERMINATION OF ENERGIES AND WAVEFUNCTIONS WITH FULL ELECTRONIC CORRELATION [J].

BOYS, SF ;

HANDY, NC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1969, 310 (1500) :43-&

[8] A CALCULATION FOR ENERGIES AND WAVEFUNCTIONS FOR STATES OF NEON WITH FULL ELECTRONIC CORRELATION ACCURACY [J].

BOYS, SF ;

HANDY, NC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1969, 310 (1500) :63-&

[9] ELECTRON SPECTRUM FOLLOWING IONIZATION AND EXCITATION OF L-SHELL ELECTRONS IN MAGNESIUM VAPOR [J].

BREUCKMANN, B ;

SCHMIDT, V ;

SCHMITZ, W .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1976, 9 (17) :3037-3046

[10] DELTA-SCF CALCULATIONS OF FREE ATOM-ION SHIFTS [J].

BROUGHTON, JQ ;

BAGUS, PS .

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1980, 20 (1-2) :127-148

← 1 2 3 4 5 6 7 →