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A MATLAB code for Hartree Fock calculation of H-H ground state bondlength and energy using STO-4G
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08 Aug 2006 | | Contributor(s):: Amritanshu Palaria
Hartree Fock (HF) theory is one of the basic theories underlying the current understanding of the electronic structure of materials. It is a simple non-relativistic treatment of many electron system that accounts for the antisymmetric (fermion) nature of electronic wavefunction but does not...
MATLAB Scripts for "Quantum Transport: Atom to Transistor"
15 Mar 2005 | | Contributor(s):: Supriyo Datta
Tinker with quantum transport models! Download the MATLAB scripts used to demonstrate the physics described in Supriyo Datta's book Quantum Transport: Atom to Transistor. These simple models are less than a page of code, and yet they reproduce much of the fundamental physics observed in...