IMPORTANCE OF SCALE AND POLARIZATION OF ATOMIC ORBITAL BASIS FOR LCAO CALCULATIONS OF ELECTRONIC INTENSITIES

被引：6

作者：

HANSEN, AE

SVENDSEN, EN

机构：

来源：

THEORETICA CHIMICA ACTA | 1971年 / 20卷 / 04期

关键词：

D O I：

10.1007/BF00527186

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：

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页码：303 / &

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共 25 条

[1] BARNETT MP, 1963, METHODS COMPUTATIONA, V2
[2] THE OSCILLATOR STRENGTH OF H-2(+), 1S-SIGMA-2P-SIGMA
BATES, DR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1951, 19 (09) : 1122 - 1124
[3] WAVE FUNCTIONS OF THE HYDROGEN MOLECULAR ION
BATES, DR
LEDSHAM, K
STEWART, AL
[J]. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1953, 246 (911) : 215 - 240
[4] BATES DR, 1954, P PHYS SOC LONDON A, V66, P1124
[5] ERROR BOUNDS FOR EXPECTATION VALUES
BAZLEY, NW
FOX, DW
[J]. REVIEWS OF MODERN PHYSICS, 1963, 35 (03) : 712 - +
[6] Bethe H. A., 1957, QUANTUM MECH ONEAND, DOI DOI 10.1007/978-3-662-12869-5
[7] ON THE CONTINUOUS ABSORPTION COEFFICIENT OF THE NEGATIVE HYDROGEN ION
CHANDRASEKHAR, S
[J]. ASTROPHYSICAL JOURNAL, 1945, 102 (02) : 223 - 231
[8] OFF-DIAGONAL HYPERVIRIAL THEOREM + ITS APPLICATIONS
CHEN, JCY
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (03) : 615 - &
[9] TRANSITION PROBABILITIES FROM ECKART-TYPE WAVEFUNCTIONS FOR EXCITED STATES OF 2-ELECTRON ATOMS
CHONG, DP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (03) : 1413 - &
[10] DANZ J, 1970, J CHEM PHYSICS, V52, P5261