Comment on “Theoretical studies on the ground states in [M(terpyridine)2]2+ and [M(4-(4-(t-butyl)phenyl)terpyridine)2]2+ (M=Fe, Ru, Os) and excited states in [Ru(terpyridine)2]2+ using density functional theory”
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چکیده
منابع مشابه
on translation of politeness strategies in dialogues involving female characters in translations and retranslations of novels translated before and after the islamic revolution of iran and their effects on the image of women: a polysystem theory approach
abstract reception environment has considerable effects on accepting a translation. as the expectations of a target culture and its values and needs change throughout history, its criteria for accepting a translation or rejecting it will change accordingly (gentzler, 2001). the expectations of iran, as the reception environment in the present study, have changed after the islamic revolution. i...
Quantal density functional theory of excited states.
We explain by quantal density functional theory the physics of mapping from any bound nondegenerate excited state of Schrödinger theory to an S system of noninteracting fermions with equivalent density and energy. The S system may be in a ground or excited state. In either case, the highest occupied eigenvalue is the negative of the ionization potential. We demonstrate this physics with example...
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15 صفحه اولComment on “ Density - matrix renormalization - group method for excited states ”
In a recent paper (Phys. Rev. B 59, 9699 (1999)), Chandross and Hicks claim to present a new density matrix renormalisation group (DMRG) method for dealing with excited states of quantum lattice models. The proposed improvement to the DMRG—the inclusion of excited state wave functions in addition to the ground state in the density matrix when calculating excitations— is in fact standard pratice...
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ژورنال
عنوان ژورنال: Journal of Organometallic Chemistry
سال: 2008
ISSN: 0022-328X
DOI: 10.1016/j.jorganchem.2008.06.033