USE OF IMPROVED ATOMIC ORBITALS IN EVALUATION OF ZERO-FIELD SPLITTING INTEGRALS

被引：9

作者：

CAPELLO, D

PULLMAN, A

机构：

来源：

THEORETICA CHIMICA ACTA | 1967年 / 8卷 / 05期

关键词：

D O I：

10.1007/BF00529453

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：383 / &

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[1] UNRESTRICTED HARTREE-FOCK CALCULATIONS .3. ZERO FIELD SPLITTINGS IN TRIPLET STATE NAPHTHALENE ANTHRACENE AND PHENANTHRENE
AMOS, T
SNYDER, LC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (06) : 2146 - &
[2] ZERO-FIELD SPLITTING .V. AROMATIC NITROGEN HETEROCYCLES
BOORSTEIN, SA
GOUTERMAN, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (09) : 3070 - +
[3] THEORY FOR ZERO-FIELD SPLITTINGS IN AROMATIC HYDROCARBONS .3.
BOORSTEIN, SA
GOUTERMAN, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (10) : 2443 - &
[4] ZERO-FIELD SPLITTINGS .4. GAUSSIAN APPROXIMATION OF INTEGRALS
BOORSTEIN, SA
GOUTERMAN, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (09) : 2776 - &
[5] ZERO-FIELD SPLITTING IN PHOSPHORESCENT TRIPLET STATES OF AROMATIC HYDROCARBONS
BRINEN, JS
ORLOFF, MK
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (12) : 4747 - &
[6] CRYSTAL AND MOLECULAR STRUCTURE OF 5-AMINOTETRAZOLE MONOHYDRATE
BRITTS, K
KARLE, IL
[J]. ACTA CRYSTALLOGRAPHICA, 1967, 22 : 308 - &
[7] ZERO-FIELD SPLITTINGS IN SOME TRIPLET-STATE ARMATIC MOLECULES
CHIU, YN
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (10) : 2736 - &
[8] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS
CLEMENTI, E
RAIMONDI, DL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &
[9] ACCURAT ANALYTICAL SELF-CONSISTENT FIELD FUNCTIONS FOR ATOMS .2. LOWEST CONFIGURATIONS OF NEUTRAL FIRST ROW ATOMS
CLEMENTI, E
YOSHIMINE, M
ROOTHAAN, CC
[J]. PHYSICAL REVIEW, 1962, 127 (05): : 1618 - &
[10] SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST- + SECOND-ROW ATOMS
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (07) : 1944 - &

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