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Recent Advances in Density Functional Methods, Part II de Delano Pun Chong

Recent Advances in Density Functional Methods, Part II

Editat de Delano Pun Chong
en Limba Engleză Paperback – 14 mai 1997
In computational chemistry, density functional theory (DFT) has had rapid development. This volume expands on the methodology and applications of DFT. Some of the chapters report on the latest developments while others extend the applications to a wider range of molecules and their environments.
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Specificații

ISBN-13: 9789810231606
ISBN-10: 9810231601
Pagini: 340
Dimensiuni: 152 x 213 x 18 mm
Greutate: 0.46 kg
Editura: World Scientific Publishing Company

Cuprins

On the calculation of energies and optimized geometries from exchange-correlation potentials, D.J. Tozer and N.C. Handy; a grid-free implementation of density functional theory, J.E. Almlof and Y.C. Zheng; continuum dielectric models for the solvent and density functional theory - the state-of-the-art, G.D. Luca et al; on the calculation of multiples, C.A. Daul et al; structural and dynamical features of hydrogen bonds from conventional and hybrid density functional methods, C. Adamo and V. Barone; chemistry by density functional theory, C.W. Bauschlicher, Jr. et al; the self-interaction corrected local density approximation method, M.A. Whitehead.