Xintian Feng

发表

General implementation of the resolution-of-the-identity and Cholesky representations of electron repulsion integrals within coupled-cluster and equation-of-motion methods: theory and benchmarks.

Evgeny Epifanovsky, Yihan Shao, Anna I Krylov, 2013, The Journal of chemical physics.

New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States.

Evgeny Epifanovsky, Anna I Krylov, Sonia Coriani, 2018, Journal of chemical theory and computation.

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Alán Aspuru-Guzik, Michael W. Schmidt, Yan Zhao, 2014, Molecular Physics.

Implementation of analytic gradients for CCSD and EOM-CCSD using Cholesky decomposition of the electron-repulsion integrals and their derivatives: Theory and benchmarks.

J. Gauss, A. Krylov, E. Epifanovsky, 2019, The Journal of chemical physics.

Intra- and Intermolecular Singlet Fission in Covalently Linked Dimers

A. Krylov, D. Casanova, Xintian Feng, 2016 .

On couplings and excimers: lessons from studies of singlet fission in covalently linked tetracene dimers.

A. Krylov, Xintian Feng, 2016, Physical chemistry chemical physics : PCCP.

Fission of Entangled Spins: An Electronic Structure Perspective

A. Krylov, Xintian Feng, A. V. Luzanov, 2013 .

Faster Exact Exchange for Solids via occ-RI-K: Application to Combinatorially Optimized Range-Separated Hybrid Functionals for Simple Solids Near the Basis Set Limit

Joonho Lee, M. Head‐Gordon, E. Epifanovsky, 2022 .

Analytical harmonic vibrational frequencies with VV10-containing density functionals: Theory, efficient implementation, and benchmark assessments

M. Head‐Gordon, Xintian Feng, Jiashu Liang, 2022, 2208.14639.

Linker-Dependent Singlet Fission in Tetracene Dimers.

A. Krylov, M. Thompson, S. Bradforth, 2018, Journal of the American Chemical Society.

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 Limit.

Joonho Lee, M. Head‐Gordon, E. Epifanovsky, 2022, Journal of chemical theory and computation.

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Daniel S. Levine, Run R. Li, K. B. Whaley, 2021, The Journal of chemical physics.

Quantifying charge resonance and multiexciton character in coupled chromophores by charge and spin cumulant analysis.

A. Krylov, D. Casanova, Xintian Feng, 2015, The Journal of chemical physics.

Dissecting the Effect of Morphology on the Rates of Singlet Fission: Insights from Theory

A. Kolomeisky, A. Krylov, Xintian Feng, 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 systems.

Anna I Krylov, Xintian Feng, A. Krylov, 2014, The journal of physical chemistry. A.

Revisiting the Performance of Time-Dependent Density Functional Theory for Electronic Excitations: Assessment of 43 Popular and Recently Developed Functionals from Rungs One to Four.

M. Head‐Gordon, D. Hait, Xintian Feng, 2022, Journal of chemical theory and computation.

Approaching the basis set limit in Gaussian-orbital-based periodic calculations with transferability: Performance of pure density functionals for simple semiconductors.

Leonardo A Cunha, Jérôme F Gonthier, Joonho Lee, 2021, The Journal of chemical physics.

A Simple Kinetic Model for Singlet Fission: A Role of Electronic and Entropic Contributions to Macroscopic Rates

Anatoly B. Kolomeisky, Anna I. Krylov, Xintian Feng, 2014 .

Singlet Fission in a Covalently Linked Cofacial Alkynyltetracene Dimer.

A. Krylov, R. Haiges, M. Thompson, 2016, Journal of the American Chemical Society.

Analytical harmonic vibrational frequencies with VV10-containing density functionals: Theory, efficient implementation, and benchmark assessments.

M. Head‐Gordon, Xintian Feng, Jiashu Liang, 2022, The Journal of chemical physics.

Analytic evaluation of non-adiabatic couplings within the complex absorbing potential equation-of-motion coupled-cluster method

A. Krylov, Xintian Feng, K. Chatterjee, 2023, 2305.11724.

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Michael W. Schmidt, Shawn T. Brown, Igor Ying Zhang, 2014, Molecular Physics.

Combining Programmable Potentials and Neural Networks for Materials Problems

I. Mezić, R. Salakhutdinov, M. Head‐Gordon, 2021, AAAI Spring Symposium: MLPS.

Implementation of analytic gradients for CCSD and EOM-CCSD using Cholesky decomposition of the electron-repulsion integrals and their derivatives: Theory and benchmarks.

J. Gauss, A. Krylov, E. Epifanovsky, 2019, The Journal of chemical physics.

Linker-Dependent Singlet Fission in Tetracene Dimers.

A. Krylov, M. Thompson, S. Bradforth, 2018, Journal of the American Chemical Society.

New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States.

A. Krylov, E. Epifanovsky, Xintian Feng, 2018, Journal of chemical theory and computation.