Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
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Dear Tian Lu, best regards.
We are interested in the computing of an electron localization function (LF) within the Multiwfn code. Such LF depends on Third-order derivatives of the density and also orbital basis. My question is how can I incorporate the calculation of these derivatives in a suitable way within the Multiwfn code?
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