LOCALIZED ORBITALS AND THE FERMI HOLE

被引:118
作者
LUKEN, WL
BERATAN, DN
机构
来源
THEORETICA CHIMICA ACTA | 1982年 / 61卷 / 03期
关键词
D O I
10.1007/BF00550971
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 ;
摘要
引用
收藏
页码:265 / 281
页数:17
相关论文
共 54 条
[1]  
AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638
[2]   AB INITIO CALCULATIONS ON SMALL HYDRIDES INCLUDING ELECTRON CORRELATION .I. BEH2 MOLECULE IN ITS GROUND STATE [J].
AHLRICHS, R ;
KUTZELNI.W .
THEORETICA CHIMICA ACTA, 1968, 10 (05) :377-&
[3]  
ALHRICHS R, 1975, J CHEM PHYS, V62, P1225
[4]  
ASLANGUL C, 1972, ADV QUANTUM CHEM, V6, P93, DOI DOI 10.1016/S0065-3276(08)60542-0
[5]   QUANTUM TOPOLOGY OF MOLECULAR CHARGE-DISTRIBUTIONS .2. MOLECULAR-STRUCTURE AND ITS CHANGE [J].
BADER, RFW ;
NGUYENDANG, TT ;
TAL, Y .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (09) :4316-4329
[6]   FLUCTUATION AND CORRELATION OF ELECTRONS IN MOLECULAR SYSTEMS [J].
BADER, RFW ;
STEPHENS, ME .
CHEMICAL PHYSICS LETTERS, 1974, 26 (03) :445-449
[7]   SPATIAL LOCALIZATION OF ELECTRONIC PAIR AND NUMBER DISTRIBUTIONS IN MOLECULES [J].
BADER, RFW ;
STEPHENS, ME .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (26) :7391-7399
[8]   ANALYSIS OF SPACE CORRELATION FACTORS IN A MCSCF REPRESENTATION OF LIH AND LI2 MOLECULES [J].
BESSON, MA ;
SUARD, M .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (01) :151-162
[9]  
BONACCORSI R, 1980, ISRAEL J CHEM, V19, P109
[10]   FERMI HOLE IN ATOMS [J].
BOYD, RJ ;
COULSON, CA .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1974, 7 (14) :1805-1816