NUMERICAL HARTREE-FOCK ENERGIES FOR H--I- ANIONS

被引:6
作者
DELAVEGA, JMG [1 ]
机构
[1] UNIV AUTONOMA MADRID,FAC CIENCIAS,DEPT QUIM FIS APLICADA,E-28049 MADRID,SPAIN
关键词
D O I
10.1088/0953-4075/27/15/002
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A compilation of accurate energies at the numerical Hartree-Fock (NHF) level is reported for the anions from H- to I-. New values are presented for the transition metal and heavier anions. Excellent agreement is obtained for the rest of the anions with preVioUS NHF results.
引用
收藏
页码:L447 / L449
页数:3
相关论文
共 14 条
[11]   ROOTHAAN-HARTREE-FOCK WAVE-FUNCTIONS FOR IONS WITH N-LESS-THAN-OR-EQUAL-TO-54 [J].
KOGA, T ;
SEKI, Y ;
THAKKAR, AJ ;
TATEWAKI, H .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1993, 26 (16) :2529-2532
[12]   NEAR HARTREE-FOCK QUALITY GTO BASIS-SETS FOR THE 2ND-ROW ATOMS [J].
PARTRIDGE, H .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (11) :6643-6647
[13]  
PARTRIDGE H, 1989, NASA101044 TECHN MEM
[14]   ACCURATE AND STABLE NUMERICAL HARTREE-FOCK CALCULATIONS FOR ATOMS .1. 1S2 GROUND-STATE OF H-, HE, LI+, AND BE++ [J].
ROOTHAAN, CCJ ;
SOUKUP, GA .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 15 (05) :449-462