Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
30 (1986), S. 433-436
ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
In this letter we show that the calculation of analytic second derivatives of variational potential energy surfaces with respect to nuclear coordinates is a minimization problem.
Additional Material:
1 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560300309
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