Density-Matrix Coupled Time-Dependent Exchange-Correlation Functional Approximations
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Updated: Jan 30, 2026

Detection of Functional Matrix Metalloproteinases by Zymography
Published on: November 8, 2010
Lionel Lacombe1, Neepa T Maitra1
1Department of Physics and Astronomy , Hunter College and the Graduate Center of the City University of New York , 695 Park Avenue , New York , New York 10065 , United States.
Abstract:
We present a new class of nonadiabatic approximations in time-dependent density functional theory derived from an exact expression for the time-dependent exchange-correlation potential. The approximations reproduce dynamical step and peak features in the exact potential that are missing in adiabatic approximations. Central to this approach is an approximation for the one-body reduced density-matrix as a functional of the Kohn-Sham density-matrix, and we examine the performance of two such approximations on four examples.
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