ACCURATE ELECTRON-DENSITY AND ONE-ELECTRON PROPERTIES FOR THE BERYLLIUM ATOM

被引:52
作者
ESQUIVEL, RO
BUNGE, AV
机构
关键词
D O I
10.1002/qua.560320303
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 ;
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页码:295 / 312
页数:18
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共 21 条
[1]  
ALHRICHS R, 1976, J CHEM PHYS, V64, P2706
[2]  
ALHRICHS R, 1973, J MATH PHYS, V14, P1860
[3]  
ALHRICHS R, 1972, CHEM PHYS LETT, V15, P609
[4]   EXACT RESULTS FOR THE CHARGE AND SPIN-DENSITIES, EXCHANGE-CORRELATION POTENTIALS, AND DENSITY-FUNCTIONAL EIGENVALUES [J].
ALMBLADH, CO ;
VONBARTH, U .
PHYSICAL REVIEW B, 1985, 31 (06) :3231-3244
[5]  
BENESCH R, 1973, WAVE MECHANICS 1ST 5
[6]   SIMPLE CORRELATED WAVE-FUNCTIONS FOR ACCURATE ELECTRON-DENSITIES - AN APPLICATION TO NEON [J].
BUNGE, AV ;
ESQUIVEL, RO .
PHYSICAL REVIEW A, 1986, 34 (02) :853-859
[7]  
Bunge C. F., 1976, Atomic Data and Nuclear Data Tables, V18, P293, DOI 10.1016/0092-640X(76)90028-0
[8]   ACCURATE DETERMINATION OF TOTAL ELECTRONIC-ENERGY OF BERYLLIUM GROUND-STATE [J].
BUNGE, CF .
PHYSICAL REVIEW A, 1976, 14 (06) :1965-1978
[9]   REDUCED 1ST ORDER DENSITY MATRIX FOR BE GROUND-STATE [J].
BUNGE, CF .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 12 (02) :343-353
[10]  
BUNGE CF, 1971, UNPUB DCI84 RUNNING