New approaches to calculating the electronic structure of small molecules
Post Hartree-Fock methods provide a well tested and theoretically sound route to the determination of the electronic wavefunction. The problem is that the computational expense of calculating the required amplitudes of the determinants that make up the wavefunction grows quickly with respect to the...
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University of Bristol
2012
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.556979 |