PADE ALGORITHM FOR THE COMPUTATION OF STATIC AND DYNAMIC 2ND-ORDER PROPERTIES BY LARGE-SCALE CI-EXPANSION

被引：12

作者：

BENDAZZOLI, GL ^{[1
]}

EVANGELISTI, S ^{[1
]}

ORTOLANI, F ^{[1
]}

机构：

[1] IST FIS A RIGHI,I-40126 BOLOGNA,ITALY

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1980年 / 18卷 / 06期

关键词：

D O I：

10.1002/qua.560180605

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：

引用

页码：1393 / 1404

页数：12

共 26 条

[1] ACCURATE ABINITIO STUDY OF THE MULTIPOLE MOMENTS AND POLARIZABILITIES OF METHANE [J].

AMOS, RD .

MOLECULAR PHYSICS, 1979, 38 (01) :33-45

[2]

BAKER GA, 1970, PADE APPROXIMANTS TH

[3]

BAROZZI GC, 1976, INTRO AGLI ALGORITMI

[4]

BENDAZZOLI GL, CHEM PHYS LETT

[5] APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD ;

BUTSCHER, W .

MOLECULAR PHYSICS, 1978, 35 (03) :771-791

[6]

DACRE PD, 1978, MOL PHYS, V36

[7] 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

[8] FINITE-FIELD METHOD CALCULATIONS OF MOLECULAR POLARIZABILITIES .2. THEORETICAL-ANALYSIS OF CORRELATION CORRECTIONS WITH APPLICATION TO SOME PSEUDO-2-ELECTRON SYSTEMS [J].

GREADY, JE ;

BACSKAY, GB ;

HUSH, NS .

CHEMICAL PHYSICS, 1977, 23 (01) :9-22

[9]

HAUSMAN RF, 1977, METHODS ELECTRONIC S, V3, P319

[10]

HIRSCHFELDER JO, 1964, ADV QUANTUM CHEM, V1, P255

← 1 2 3 →