Density-functional theory of optical response

Authors
Harbola, MK Banerjee, A
Citation
Mk. Harbola et A. Banerjee, Density-functional theory of optical response, I J CHEM A, 39(1-3), 2000, pp. 9-21
Citations number
53
Categorie Soggetti
Chemistry
Journal title
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
ISSN journal
03764710 → ACNP
Volume
39
Issue
1-3
Year of publication
2000
Pages
9 - 21
Database
ISI
SICI code
0376-4710(200001/03)39:1-3<9:DTOOR>2.0.ZU;2-I
Abstract
In this paper we describe the perturbation theory developed recently by us within the time-dependent Kohn-Sham formalism for fields which are periodic in time. We demonstrate the 2n + 1 rule and its variational corollary for the time-averaged energy and employ it to calculate linear and various non- linear response properties of the inert gas atoms, helium, neon and argon.