Title of article
An improved externally contracted CI method
Author/Authors
Wang، نويسنده , , Yubin and Gan، نويسنده , , Zhengting and Su، نويسنده , , Kehe and Wen، نويسنده , , Zhenyi، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1999
Pages
7
From page
277
To page
283
Abstract
An improved externally contracted CI algorithm is presented, aimed at reducing correlation energy loss and ensuring high efficiency. Some examples are tested by the new contracted CI method and improvements to various degrees with respect to original externally contracted CI are shown. Moreover, a new definition of the `canonicalʹ order for integrals is suggested which seems to be more efficient and general for addressing integrals with two or more indices.
Journal title
Chemical Physics Letters
Serial Year
1999
Journal title
Chemical Physics Letters
Record number
1779627
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