[PDF.99ao] Recent Advances in Density Functional Methods (Recent Advances in Computational Chemistry Vol. 1, Part II)

Recent Advances in Density Functional Methods (Recent Advances in Computational Chemistry Vol. 1, Part II)

[PDF.vx53] Recent Advances in Density Functional Methods (Recent Advances in Computational Chemistry Vol. 1, Part II)

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 | #18399767 in Books |  1997-05 | Original language:English | PDF # 1 |  9.00 x6.50 x1.00l,.0 | File type: PDF | 340 pages

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Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets ...

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