CORE REARRANGEMENT AND HARTREE-FOCK IONIZATION ENERGIES

被引:10
作者
CHOW, PC
KLEINMAN, L
机构
来源
PHYSICAL REVIEW | 1967年 / 162卷 / 01期
关键词
D O I
10.1103/PhysRev.162.105
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
引用
收藏
页码:105 / &
相关论文
共 50 条
[41]   SIMPLE DERIVATION OF CONDITIONS FOR INSTABILITY IN THE HARTREE-FOCK AND PROJECTED HARTREE-FOCK SCHEMES [J].
LOWDIN, PO ;
CALAIS, JL ;
CALAZANS, JM .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, 20 (06) :1201-1215
[42]   NEUTRON-STAR CALCULATIONS IN THE RELATIVISTIC HARTREE-FOCK AND HARTREE-FOCK APPROXIMATION [J].
WEBER, F ;
WEIGEL, MK .
NUCLEAR EQUATION OF STATE, PART A: DISCOVERY OF NUCLEAR SHOCK WAVES AND THE EOS, 1989, 216 :785-792
[43]   FINITE-ELEMENT MULTICONFIGURATION HARTREE-FOCK CALCULATIONS ON THE EXCITATION-ENERGIES AND THE IONIZATION-POTENTIAL OF OXYGEN [J].
SUNDHOLM, D ;
OLSEN, J ;
ALEXANDER, SA .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (07) :5229-5232
[44]   HARTREE-FOCK EQUATIONS FOR SEPARATION ENERGIES AND SINGLE PARTICLE STATES IN NUCLEI [J].
CLEMENT, CF .
PHYSICS LETTERS B, 1969, B 28 (06) :398-&
[45]   PARTICLES + CORE REDUCTION OF TIME-DEPENDENT HARTREE-FOCK [J].
JENSEN, AS ;
KOONIN, SE .
PHYSICS LETTERS B, 1978, 73 (03) :243-246
[46]   Self-consistent basis set extrapolation of Hartree-Fock energies [J].
Nafradi, Dorka ;
Kallay, Mihaly .
STRUCTURAL CHEMISTRY, 2025,
[47]   PATHOLOGIC INVERSION OF CORE ORBITALS IN APPROXIMATE HARTREE-FOCK CALCULATIONS [J].
KOGA, T ;
OHTA, K ;
NITTA, K .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (12) :7313-7316
[48]   HARTREE-FOCK CALCULATIONS WITH REALISTIC HARD-CORE POTENTIAL [J].
PAL, MK ;
STAMP, AP .
PHYSICAL REVIEW, 1967, 158 (04) :924-&
[49]   CONCERNING ANALYTICAL DERIVATIVES OF KINETIC AND POTENTIAL ENERGIES IN THE HARTREE-FOCK THEORY [J].
TOKIWA, H ;
ICHIKAWA, H ;
OSAMURA, Y .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (08) :6018-6025
[50]   A comparative analysis of Hartree-Fock and Kohn-Sham orbital energies [J].
Peter Politzer ;
Fakher Abu-Awwad .
Theoretical Chemistry Accounts, 1998, 99 :83-87