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Physical Chemistry Chemical Physics : PCCP|February 25, 2016
On couplings and excimers: lessons from studies of singlet fission in covalently linked tetracene dimersXintian Feng, Anna I KrylovThe Journal of Chemical Physics|May 23, 2023
Analytical harmonic vibrational frequencies with VV10-containing density functionals: Theory, efficient implementation, and benchmark assessmentsJiashu Liang, Xintian Feng, Xiao Liu, et al.Journal of Chemical Theory and Computation|May 9, 2022
Revisiting the Performance of Time-Dependent Density Functional Theory for Electronic Excitations: Assessment of 43 Popular and Recently Developed Functionals from Rungs One to FourJiashu Liang, Xintian Feng, Diptarka Hait, et al.The Journal of Chemical Physics|February 6, 2026
Efficient all-electron periodic Fourier-transformed Coulomb methodHieu Q Dinh, Adam Rettig, Xintian Feng, et al.The Journal of Chemical Physics|July 6, 2019
Implementation of analytic gradients for CCSD and EOM-CCSD using Cholesky decomposition of the electron-repulsion integrals and their derivatives: Theory and benchmarksXintian Feng, Evgeny Epifanovsky, Jürgen Gauss, et al.The Journal of Chemical Physics|June 15, 2015
Quantifying charge resonance and multiexciton character in coupled chromophores by charge and spin cumulant analysisAnatoliy V Luzanov, David Casanova, Xintian Feng, et al.The Journal of Physical Chemistry. A|July 29, 2014
What we can learn from the norms of one-particle density matrices, and what we can't: some results for interstate properties in model singlet fission systemsSpiridoula Matsika, Xintian Feng, Anatoliy V Luzanov, et al.Journal of Chemical Theory and Computation|December 2, 2022
Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids with Pseudopotentials Near the Basis Set LimitJoonho Lee, Adam Rettig, Xintian Feng, et al.Journal of Chemical Theory and Computation|April 10, 2019
New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized StatesMarta L Vidal, Xintian Feng, Evgeny Epifanovsky, et al.Journal of Chemical Theory and Computation|August 30, 2023
Analytic Evaluation of Nonadiabatic Couplings within the Complex Absorbing Potential Equation-of-Motion Coupled-Cluster MethodKoushik Chatterjee, Zsuzsanna Koczor-Benda, Xintian Feng, et al.Pageof 2