DIFFERENT PERTURBED UNCOUPLED HARTREE-FOCK (PUCHF) METHODS FOR PHYSICAL PROPERTIES .1. THEORY AND DIPOLE POLARIZABILITIES

被引:36
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TUAN, DFT
DAVIDZ, A
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D O I
10.1063/1.1676219
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:1286 / &
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[31]   UNCOUPLED HARTREE-FOCK CALCULATIONS OF RING CURRENT CONTRIBUTION TO CHEMICAL SHIFTS IN CONJUGATED HYDROCARBONS [J].
ROBERTS, HG .
THEORETICA CHIMICA ACTA, 1969, 15 (01) :63-&
[32]   NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY [J].
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1951, 23 (02) :69-89
[33]   ANALYTICAL SELF-CONSISTENT FIELD FUNCTIONS FOR THE ATOMIC CONFIGURATIONS 1S2, 1S22S, AND 1S22S2 [J].
ROOTHAAN, CCJ ;
SACHS, LM ;
WEISS, AW .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :186-194
[34]   APPLICATION OF MANY-BODY PERTURBATION THEORY TO HYDROGEN MOLECULE [J].
SCHULMAN, JM ;
KAUFMAN, DN .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (02) :477-&
[35]   HYDROGEN-ATOM POLARIZABILITY AS A HARTREE-FOCK PERTURBATION EXPANSION - A GEOMETRIC APPROXIMATION TO ATOMIC POLARIZABILITIES [J].
SCHULMAN, JM ;
MUSHER, JI .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (11) :4845-&
[36]   The geometric approximation of physical properties [J].
Tuan, D. F-T. .
CHEMICAL PHYSICS LETTERS, 1970, 7 (01) :115-120
[37]   ERROR OF EXPECTATION VALUES FROM MC SCF THEORY [J].
TUAN, DF .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5247-+
[38]   PERTURBATION CORRECTIONS TO UNCOUPLED HARTREE-FOCK METHOD - DIPOLE POLARIZABILITIES OF NEON ISOELECTRONIC SEQUENCE [J].
TUAN, DFT ;
WU, KK .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (02) :620-&
[39]   IMPROVEMENT OF UNCOUPLED HARTREE-FOCK EXPECTATION VALUES FOR PHYSICAL PROPERTIES [J].
TUAN, DFT ;
EPSTEIN, ST ;
HIRSCHFE.JO .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (02) :431-&
[40]   GENERAL EXPRESSION FOR INTERCHANGE THEOREM OF DOUBLE PERTURBATION THEORY [J].
TUAN, DFT .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (06) :2435-&