Time-dependent multireference coupled-cluster-based response approach for evaluating dynamic properties

被引:27
作者
Ajitha, D
Pal, S
机构
[1] Physical Chemistry Division, National Chemical Laboratory, Pune
来源
PHYSICAL REVIEW A | 1997年 / 56卷 / 04期
关键词
D O I
10.1103/PhysRevA.56.2658
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A time-dependent response approach using a multireference coupled cluster wave function is presented for the calculation of frequency-dependent nonlinear properties for systems that have significant ''nondynamical'' electron correlation. The formulation is nonvariational in nature and is similar to Monkhorst's linear response approach, but has to incorporate-the time-dependent change of the cluster amplitudes and the model space coefficients, The static limit of the equation in the Fock space approach is shown to reduce to the time-independent formulation in the Fock space approach developed by one of us.
引用
收藏
页码:2658 / 2664
页数:7
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