Title of article :
Recurrence relations for calculation of the Cartesian multipole tensor
Author/Authors :
Challacombe، نويسنده , , Matt and Schwegler، نويسنده , , Eric and Almlِf، نويسنده , , Jan، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1995
Pages :
6
From page :
67
To page :
72
Abstract :
We demonstrate that the Cartesian multipole interaction tensor may be evaluated with recurrence relations analogous to the McMurchie-Davidson algorithm for calculation of electron repulsion integrals. With these recursion relations all elements of the Cartesian multipole tensor through order L may be calculated in O(L4) CPU time, in contrast to current methods that scale as O(L6).
Journal title :
Chemical Physics Letters
Serial Year :
1995
Journal title :
Chemical Physics Letters
Record number :
1774308
Link To Document :
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