970 citations · 1.1k across the 16 of their papers we have counts for
4 papers · 1 filter
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…
Progress in Time-Dependent Density-Functional Theory
M. E. Casida, M. Huix-Rotllant
The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and Sham in the mid-1960s, is based upon the idea that the complicated N-electron wavefunction…
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…