Application of the time-dependent local density approximation to optical activity
نویسندگان
چکیده
منابع مشابه
Application of time-dependent density functional theory to optical activity
As part of a general study of the time-dependent local density approximation (TDLDA), we here report calculations of optical activity of chiral molecules. The theory automatically satisfies sum rules and the Kramers-Kronig relation between circular dichroism and optical rotatory power. We find that the theory describes the measured circular dichroism of the lowest states in methyloxirane with a...
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ژورنال
عنوان ژورنال: Physical Review A
سال: 1999
ISSN: 1050-2947,1094-1622
DOI: 10.1103/physreva.60.1271