RICE UNIVERSITY Linear Scaling Density Functional Theory with Gaussian Orbitals and Periodic Boundary Conditions by - Fast multipole method - Document - PDFSEARCH.IO

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	RICE UNIVERSITY Linear Scaling Density Functional Theory with Gaussian Orbitals and Periodic Boundary Conditions by Add to Reading List Document Date: 2006-05-03 17:46:09 Open Document File Size: 385,57 KB Share Result on Facebook City Houston / / IndustryTerm periodic and molecular systems / periodic systems / large systems / chemical accuracy / energy convergence / analytic energy gradients / well systems / redundant internal coordinate algorithm / kinetic energy density dependent functionals / molecular systems / bonded systems / chemical environment / chemical bonds / Strain energy / energy / / Organization Thesis Committee / RICE UNIVERSITY / Contents Chapter / Department of Chemistry Boris Yakobson Associate / / Person Konstantin N. Kudin / H. Bernhard Schlegel / Bruce Johnson / Gustavo Scusera / Gustavo Scuseria / / Position Professor of Chemistry Bruce Johnson Senior Faculty Fellow / Professor of Mechanical Engineering / Chairman / Professor of Chemistry / / Technology redundant internal coordinate algorithm / / SocialTag Quantum chemistry Atomic physics Crystal Numerical analysis Gaussian Density functional theory Ab initio quantum chemistry methods Basis set Fast multipole method Chemistry

RICE UNIVERSITY Linear Scaling Density Functional Theory with Gaussian Orbitals and Periodic Boundary Conditions byAdd to Reading List