Abstract
Implementation of gradient-optimization algorithms and force constant computations in BSSE-free direct and conventional SCF approaches
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https://doi.org/10.1002/(sici)1097-461x(1998)69:2<151::aid-qua2>3.0.co;2-u
Copy DOIPublication Date: Jan 1, 1998 | |
Citations: 61 |
Implementation of gradient-optimization algorithms and force constant computations in BSSE-free direct and conventional SCF approaches
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