Pseudospectral multireference single and double excitation configuration interaction
نویسندگان
چکیده
We present a pseudospectral formulation of the multireference single and double excitation configuration interaction method. A formal scaling advantage is achieved and practical timings are presented. The accuracy of the pseudospectral approximation within this method is probed for a variety of test cases. The method is typically accurate to within 1 mhartree while being up to six times faster than conventional codes. © 1995 American Institute of Physics.
منابع مشابه
Pseudospectral double excitation configuration interaction
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