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I'd like to model some simple molecules using VSEPR. With what functions should I approximate the sigma and pi bond orbitals? A simple Gauss would do it? I'd like to have a good precision. Thanks in advance

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    $\begingroup$ This may be a question better suited to Chemistry SE. $\endgroup$ – Charlie Sep 26 '20 at 16:12
  • $\begingroup$ This is a physics question, Charlie. $\endgroup$ – RobertSzili Sep 26 '20 at 16:45
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    $\begingroup$ It is at very least in the region between physics and chemistry. Anything relating to modelling of molecular bonds is arguably computational/quantum chemistry territory. If you don't get an answer here you should try asking on Chemistry SE also. $\endgroup$ – Charlie Sep 26 '20 at 17:25
  • $\begingroup$ It is a question in between, where either will be eligible to downvote in want of any information arguing it belongs to the other side. $\endgroup$ – Gyro Gearloose Sep 26 '20 at 17:34
  • $\begingroup$ I might be biased because my background is in chemistry, but this topic strikes me as leaning further toward the chemistry side of things. $\endgroup$ – electronpusher Sep 26 '20 at 22:47

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