Title of article
Recursion method for electronic structure calculations Original Research Article
Author/Authors
E. Lorin، نويسنده , , G. Zérah، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 2004
Pages
8
From page
39
To page
46
Abstract
We present a new recursion method based on the Trotter formula for the electronic structure calculations of molecules or solids. The proposed method has the feature to be more effective at high temperatures in contrast with direct calculations methods (real space or plane waves methods).
Keywords
Planewave method , Lanczos , Trotter formula , Density functional theory
Journal title
Computer Physics Communications
Serial Year
2004
Journal title
Computer Physics Communications
Record number
1136276
Link To Document