16 citations · 38 across the 4 of their papers we have counts for
4 papers
Effect of Varying the TD-lc-DFTB Range-Separation Parameter on Charge and Energy Transfer in a Model Pentacene/Buckminsterfullerene Heterojunction
Ala Aldin M. H. M. Darghouth, Mark E. Casida, Xi Zhu +6
Density-functional tight binding (DFTB) has become a popular form of approximate density-functional theory (DFT) based upon a minimal valence basis set and neglect of all but two c…
Wavelets for Density-Functional Theory and Post-Density-Functional-Theory Calculations
Bhaarathi Natarajan, Mark E. Casida, Luigi Genovese +1
We give a fairly comprehensive review of wavelets and of their application to density-functional theory (DFT) and to our recent application of a wavelet-based version of linear-res…
Wavelet-Based Linear-Response Time-Dependent Density-Functional Theory
Bhaarathi Natarajan, Luigi Genovese, Mark E. Casida +4
Linear-response time-dependent (TD) density-functional theory (DFT) has been implemented in the pseudopotential wavelet-based electronic structure program BigDFT and results are co…
Real-Time Dynamics and Conical Intersections
Mark Earl Casida, Bhaarathi Natarajan, Thierry Deutsch
This book chapter is a general introduction to photo-dynamics. An outlined structure to the theoretical studies on classical/quantum/mixed dynamics were described from the literatu…