THE JOURNAL OF CHEMICAL PHYSICS 122, 144101 共2005兲 Plane wave pseudopotential implementation of excited state gradients in density functional linear response theory: A new route via implicit differentiation Nikos L. - Orbital plane - Document - PDFSEARCH.IO

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Date: 2006-03-03 05:47:41 Chemistry Nature Quantum chemistry Chemical bonding Computational chemistry Theoretical chemistry Atomic orbital Molecular orbital		THE JOURNAL OF CHEMICAL PHYSICS 122, 144101 共2005兲 Plane wave/pseudopotential implementation of excited state gradients in density functional linear response theory: A new route via implicit differentiation Nikos L. Add to Reading List Source URL: ftp.theochem.ruhr-uni-bochum.de Download Document from Source Website File Size: 103,82 KB Share Document on Facebook