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On the efficient evaluation of analytic energy gradients

✍ Scribed by J.E. Rice; R.D. Amos

Book ID
103023673
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
469 KB
Volume
122
Category
Article
ISSN
0009-2614

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✦ Synopsis

in Cinal form 14 Ocloher 19S5 Melhods for the efficicn~ evaluakm of anal~ric encr&v gradicnu wilh corrclawd wavcrunclions arc discusssd. II is colxludcd rhar no gmdicnt. and in particular the Cl gradicn1 with MC SCF orhiuals. requires rhc storage

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