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
[1]   SYSTEMATIC SEARCH OF EXCITED STATES OF NEGATIVE IONS LYING ABOVE THE GROUND STATE OF THE NEUTRAL ATOM. [J].
Bunge, Carlos F. ;
Galan, Manuel ;
Jauregui, Rocio ;
Bunge, Annik Vivier .
Nuclear instruments and methods in physics research, 1982, 202 (1-2) :299-305
[2]   HARTREE-FOCK AND ROOTHAAN-HARTREE-FOCK ENERGIES FOR THE GROUND-STATES OF HE THROUGH XE [J].
BUNGE, CF ;
BARRIENTOS, JA ;
BUNGE, AV ;
COGORDAN, JA .
PHYSICAL REVIEW A, 1992, 46 (07) :3691-3696
[3]  
BUNGE CF, 1978, INT J QUANTUM CHEM, V12, P345
[4]  
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[5]   GAUSSIAN EXPANSIONS FROM STOS BY THE DISTANCE BETWEEN SUBSPACES [J].
DELAVEGA, JMG ;
MIGUEL, B .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1993, 47 (01) :85-100
[6]   APPROXIMATE STO FUNCTIONS FOR THE 1ST-ROW TRANSITION-METAL ATOMS [J].
DELAVEGA, JMG ;
MIGUEL, B .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1991, 12 (10) :1172-1181
[7]   GROUND-STATES OF CA- AND SC- FROM 2 THEORETICAL POINTS-OF-VIEW [J].
FISCHER, CF ;
LAGOWSKI, JB ;
VOSKO, SH .
PHYSICAL REVIEW LETTERS, 1987, 59 (20) :2263-2266
[8]  
FISCHER CF, 1978, COMPUT PHYS COMMUN, V14, P145, DOI DOI 10.1016/0010-4655(78)90057-7
[9]  
FISCHER CF, 1977, HARTREEFOCK METHOD A
[10]  
FRAGA S, 1976, HDB ATOMIC DATA