https://wiki.devclub.in/index.php?action=history&feed=atom&title=CML760 2026-04-09T05:44:46Z Revision history for this page on the wiki MediaWiki 1.45.1 https://wiki.devclub.in/index.php?title=CML760&diff=333&oldid=prev 2026-03-04T09:56:42Z

<p>Creating course page via bot</p> <p><b>New page</b></p><div>{{Infobox Course<br /> | code = CML760<br /> | name = Computational Quantum Chemistry<br /> | credits = 3<br /> | credit_structure = 2-0-2<br /> | pre_requisites = CML511 or PYL555 or PYL556 or equivalent<br /> | overlaps = <br /> }}<br /> <br /> == CML760 : Computational Quantum Chemistry ==<br /> Overview of quantum chemistry, variational principle and its applications, Hartree-Fock method, density functional calculations, perturbation theory, configuration interactions, multi-configurational self-consistent field (MCSCF), Quantum chemical calculations, chemical reaction pathways, excited state calculations, calculations of spectral properties, ab initio molecular dynamics simulations</div>

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