RESPONSE-FUNCTION APPROACH TO THE DIRECT CALCULATION OF THE TRANSITION-ENERGY IN A MULTIPLE-CLUSTER EXPANSION FORMALISM

被引：341

作者：

MUKHERJEE, D ^{[1
]}

MUKHERJEE, PK ^{[1
]}

机构：

[1] INDIAN AGR RES INST,DEPT OPT,NEW DELHI 110012,INDIA

来源：

CHEMICAL PHYSICS | 1979年 / 39卷 / 03期

关键词：

D O I：

10.1016/0301-0104(79)80153-6

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：

In this paper, we have developed a response function approach to the direct determination of transition energy in a multiple-cluster expansion formalism. We adopt a time-independent formalism in a way reminiscent of the Fourier-transformed version of a response-function theory. The formalism has been used to describe specifically the linear response, and compact and usable formulae have been derived for the calculation of excitation energy and dynamic polarisability of closed-shell systems. Extension of the method for calculating higher order response functions and ionisation potentials is straight-forward. © 1979.

引用

页码：325 / 335

页数：11

共 42 条

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