THE MNDOC METHOD, A CORRELATED VERSION OF THE MNDO MODEL

被引:223
作者
THIEL, W
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D O I
10.1021/ja00396a021
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O6 [化学];
学科分类号
0703 ;
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页码:1413 / 1420
页数:8
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[1]   MANY-BODY PERTURBATION-THEORY APPLIED TO ELECTRON PAIR CORRELATION ENERGIES .1. CLOSED-SHELL FIRST-ROW DIATOMIC HYDRIDES [J].
BARTLETT, RJ ;
SILVER, DM .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (08) :3258-3268
[2]   COMPARISON OF HIGH-ORDER MANY-BODY PERTURBATION-THEORY AND CONFIGURATION INTERACTION FOR H2O [J].
BARTLETT, RJ ;
SHAVITT, I .
CHEMICAL PHYSICS LETTERS, 1977, 50 (02) :190-198
[3]   GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].
BINGHAM, RC ;
DEWAR, MJS ;
LO, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293
[4]  
Davidson E.R., 1974, WORLD QUANTUM CHEM
[5]   ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES [J].
DAVIDSON, ER .
JOURNAL OF COMPUTATIONAL PHYSICS, 1975, 17 (01) :87-94
[6]   SIZE CONSISTENCY IN DILUTE HELIUM GAS ELECTRONIC-STRUCTURE [J].
DAVIDSON, ER ;
SILVER, DW .
CHEMICAL PHYSICS LETTERS, 1977, 52 (03) :403-406
[7]  
DAVIDSON ER, 1973, ENERGY STRUCTURE REA
[8]  
DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
[9]   GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4907-4917
[10]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907