RAYLEIGH-SCHRODINGER QDPT FOR HERMITIAN INTERMEDIATE HAMILTONIANS BY THE SHIFT TECHNIQUE

被引:45
作者
ZAITSEVSKII, AV
HEULLY, JL
机构
[1] Laboratoire de Physique Quantique (URA 505 du CNRS), Université Paul Sabatier, Toulouse Cédex, 31062, 118, route de Narbonne
关键词
D O I
10.1088/0953-4075/25/3/008
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A general approach to the construction of Rayleigh-Schrodinger-like perturbative expansions for Hermitian intermediate Hamiltonians using the shift technique is proposed. The shift operator depends on the projector onto the subspace spanned by the 'main' eigenvectors of the intermediate Hamiltonian which should be determined iteratively for a given PT order. The intruder state problem can be completely eliminated by an appropriate choice of an intermediate and shift parameters without introducing any additional perturbation. Numerical examples are reported in order to demonstrate the convergency properties and approximate size consistency of the novel method.
引用
收藏
页码:603 / 612
页数:10
相关论文
共 20 条
[1]  
Durand P., 1987, AB INITIO METHODS QU, V67, P321
[2]   INTRODUCTORY GUIDE TO EFFECTIVE OPERATORS IN NUCLEI [J].
ELLIS, PJ ;
OSNES, E .
REVIEWS OF MODERN PHYSICS, 1977, 49 (04) :777-832
[3]   QUALITATIVE INTRUDER-STATE PROBLEMS IN EFFECTIVE HAMILTONIAN THEORY AND THEIR SOLUTION THROUGH INTERMEDIATE HAMILTONIANS [J].
EVANGELISTI, S ;
DAUDEY, JP ;
MALRIEU, JP .
PHYSICAL REVIEW A, 1987, 35 (12) :4930-4941
[4]   IS THERE A BRIDGE BETWEEN ABINITIO AND SEMIEMPIRICAL THEORIES OF VALENCE [J].
FREED, KF .
ACCOUNTS OF CHEMICAL RESEARCH, 1983, 16 (04) :137-144
[5]  
HEULLY JL, 1991, UNPUB INT J QUANTUM
[7]   A NEW PARTITIONING TECHNIQUE FOR THE CALCULATION OF BLOCHS WAVE-OPERATORS [J].
JOLICARD, G ;
BILLING, GD .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1990, 23 (20) :3457-3468
[8]   EFFECTIVE HAMILTONIANS [J].
JORGENSEN, F .
MOLECULAR PHYSICS, 1975, 29 (04) :1137-1164
[10]  
KOCH S, 1991, IN PRESS THEOR CHIM