Kenneth A. Lopata

Modeling Fast Electron Dynamics with Real-Time Time-Dependent Density Functional Theory: Application to Small Molecules and Chromophores

Kenneth A. Lopata, Niranjan Govind · Journal of Chemical Theory and Computation · 2011 · 274 citations

Engineering, Excitation Energy Transfer, Computational Chemistry +20

Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption

Kenneth A. Lopata, Benjamin E. Van Kuiken, Munira Khalil et al. · Journal of Chemical Theory and Computation · 2012 · 243 citations

X-ray Spectroscopy, Engineering, Absorption Spectroscopy +22

Comparison of Real-Time and Linear-Response Time-Dependent Density Functional Theories for Molecular Chromophores Ranging from Sparse to High Densities of States

Samat Tussupbayev, Niranjan Govind, Kenneth A. Lopata et al. · Journal of Chemical Theory and Computation · 2015 · 121 citations

Organic Charge-transfer Compound, Excited State Property, Rt-tddft Approach +15

Accelerated Broadband Spectra Using Transition Dipole Decomposition and Padé Approximants

Adam Bruner, Daniel J. LaMaster, Kenneth A. Lopata · Journal of Chemical Theory and Computation · 2016 · 101 citations

Engineering, Computational Chemistry, Chemistry +20

Excited-State Studies of Polyacenes: A Comparative Picture Using EOMCCSD, CR-EOMCCSD(T), Range-Separated (LR/RT)-TDDFT, TD-PM3, and TD-ZINDO

Kenneth A. Lopata, Randa Reslan, Daniel Neuhauser et al. · Journal of Chemical Theory and Computation · 2011 · 100 citations

Organic Charge-transfer Compound, Excited State Property, Localized Excited State +14