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
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Time-dependent density-functional theory for molecules and molecular solids
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 1–3, 30 November 2009, Pages 3-18
نویسندگان
,