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 Development of Accurate Semilocal Approximations for Exchange and Correlation Density Functional Theory of Atoms, Molecules, and Solids.
Наименование:

Development of Accurate Semilocal Approximations for Exchange and Correlation Density Functional Theory of Atoms, Molecules, and Solids.

автор Jianmin T. издательство Книга по Требованию Механика. Динамика
Cтраниц 136        мягкая обложка       
Аннотация:Inspired by the work discussed in this book, he and collaborators developed a uniformly-accurate meta-generalized gradient approximation called TPSS functional (from the authors' initials), which has been coded in all major computer programs and has been widely used in electronic structure calculations. Density Functional Theory is a mainstream electronic structure theory of many-electron systems, which has achieved a high-level sophistication. This book is based on the dissertation of the author for his graduate study at Tulane University. In this theory, everything is known except for the exchange-correlation component, which has to be approximated as a functional of the electron density. Then he discusses how to develop accurate density functionals with constraint satisfaction approach. Some of the work (chapter 7) is presented for the first time. The method is illustrated with the construction of accurate density functionals. Therefore, the subject of this theory has been the development of more accurate exchange-correlation functionals. In this book, the author describes the theoretical underpinnings of the theory.
Автор: Jianmin T.
Издательство: Книга по Требованию
Год:2010
Цена:
2415 руб
Нет в наличии
Поиск: Development of Accurate Semilocal Approximations for Exchange and Correlation Density Functional Theory of Atoms, Molecules, and Solids.
НОВЫЙ ГОД СИМВОЛ 2013 ГОДАУКРАШЕНИЯ
КАРНАВАЛ НА НОВЫЙ ГОД РАСПРОДАЖА
Ортомолекулярная медицина Orthomol Устрание причин заболеваний. Ортомоль это новый метод для лечения и профилактики болезней. Orthomol - ортомолекулярная медицина.
Термонапружений стан частково прозорих тіл з порожнинами за теплового...

Various hermal a d mecha ical proper ies of a ma erial i he cavi y are co sidered. A irradia ed solid is equipped wi h radia io reflec ors, he la er bei g bo h cooli g a d o -cooli g. Differe approaches o de ermi a io radia ive charac eris ics of irradia ed solid, radia io source a d reflec or are used, amely, spec ral a d i ergral charac eris ics are applied. Effec of radia io o hermal a d mecha ical processes i he solid is ake i o accou by hea sources due o radia io absorp io as well as radia ive hea e ergy redis ribu io i he i erac ive solid-reflec ors sys em. Spec ral charac eris ics of real radia io sources as well as irradia ed solids are ake i o accou . he problems of radia ive hermomecha ics for semi ra spare solids of such ca o ic shapes as layer, hollow cyli der a d hollow sphere subjec ed o spa ially homoge eous hermal radia io are posed. he approach o solve hese problems is developed, i volvi g he grid me hod a d he me hods of umerical i egra io s. O a alysi g he posed problems solu io s, he ew fea ures of hermomecha ical behaviour of semi ra spare solids of ca o ic shapes are es ablished, depe de o he se of various fac ors, amely o radia io source a d reflec ors radia ive charac eris ices, hermal a d mecha ical proper ies of a ma erial of he cavi y as well as co sideri g ei her spec ral or i egral radia ive charac eris ics. heore ical fou da io s for developme ra io al ech iques for ou gassi g cer ai ypes of lamps by usi g i dus rial hermal radia io sources are prese ed.
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