کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416973 | 1506909 | 2009 | 16 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Time-dependent density-functional theory for molecules and molecular solids
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Time-dependent density-functional theory (TDDFT) has become a well-established part of the modern theoretical chemist's toolbox for treating electronic excited states. Yet, though applications of TDDFT abound in quantum chemistry, review articles specifically focusing on TDDFT for chemical applications are relatively rare. This article helps to fill the void by first giving a historical review of TDDFT, with emphasis on molecular excitations and aspects of TDDFT which are important for quantum chemical applications, followed by a discussion of some modern evolutions with emphasis on the articles in this volume, and ending with a few thoughts about the future of TDDFT.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 914, Issues 1â3, 30 November 2009, Pages 3-18
Journal: Journal of Molecular Structure: THEOCHEM - Volume 914, Issues 1â3, 30 November 2009, Pages 3-18
نویسندگان
Mark E. Casida,