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 :
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