Nobel Lecture: Quantum chemical models

被引：370

作者：

Pople, JA ^{[1
]}

机构：

[1] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA

来源：

REVIEWS OF MODERN PHYSICS | 1999年 / 71卷 / 05期

关键词：

D O I：

10.1103/RevModPhys.71.1267

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：1267 / 1274

页数：8

共 34 条

[21] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES [J].

POPLE, JA ;

SANTRY, DP ;

SEGAL, GA .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S129-+

[22] QUADRATIC CONFIGURATION-INTERACTION - A GENERAL TECHNIQUE FOR DETERMINING ELECTRON CORRELATION ENERGIES [J].

POPLE, JA ;

HEADGORDON, M ;

RAGHAVACHARI, K .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (10) :5968-5975

[23] ELECTRON CORRELATION THEORIES AND THEIR APPLICATION TO STUDY OF SIMPLE REACTION POTENTIAL SURFACES [J].

POPLE, JA ;

KRISHNAN, R ;

SCHLEGEL, HB ;

BINKLEY, JS .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (05) :545-560

[24] SELF-CONSISTENT ORBITALS FOR RADICALS [J].

POPLE, JA ;

NESBET, RK .

JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (03) :571-572

[25] COMPUTATION OF ELECTRON REPULSION INTEGRALS INVOLVING CONTRACTED GAUSSIAN BASIS FUNCTIONS [J].

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF COMPUTATIONAL PHYSICS, 1978, 27 (02) :161-168

[26]

POPLE JA, 1981, INT J QUANTUM CHEM, P269

[27] ELECTRON INTERACTION IN UNSATURATED HYDROCARBONS [J].

POPLE, JA .

TRANSACTIONS OF THE FARADAY SOCIETY, 1953, 49 (12) :1375-1385

[28] A FULL COUPLED-CLUSTER SINGLES AND DOUBLES MODEL - THE INCLUSION OF DISCONNECTED TRIPLES [J].

PURVIS, GD ;

BARTLETT, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (04) :1910-1918

[29]

RADOM L, 1972, J AM CHEM SOC, V54, P724

[30] A 5TH-ORDER PERTURBATION COMPARISON OF ELECTRON CORRELATION THEORIES [J].

RAGHAVACHARI, K ;

TRUCKS, GW ;

POPLE, JA ;

HEADGORDON, M .

CHEMICAL PHYSICS LETTERS, 1989, 157 (06) :479-483

← 1 2 3 4 →