Arbitrary-Order Density Functional Response Theory from Automatic Differentiation-Reference-Cited by-同舟云学术

Arbitrary-Order Density Functional Response Theory from Automatic Differentiation

Published:2010-05-24 Issue:7 Volume:6 Page:1971-1980
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ekström Ulf¹,Visscher Lucas¹,Bast Radovan¹,Thorvaldsen Andreas J.¹,Ruud Kenneth¹

Affiliation:

1. Division of Theoretical Chemistry, Amsterdam Center for Multiscale Modeling, VU University - Faculty of Sciences, De Boelelaan 1083, NL-1081 HV Amsterdam, The Netherlands, and Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø, N-9037 Tromsø, Norway

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100117s

Reference54 articles.

1. Time-Dependent Density-Functional Theory

2. Casida, M.Time-dependent density-functional response theory for molecules. InRecent Advances in Density Functional methods, Part I;Chong, D. P., Ed.World Scientific:Singapore, 1995; p155.

3. KEY CONCEPTS IN TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY

4. TIME-DEPENDENT DENSITY FUNCTIONAL THEORY

5. Time-dependent density-functional theory for molecules and molecular solids

Cited by 178 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Classical density functional theory in three dimensions with GPU-accelerated automatic differentiation: Computational performance analysis using the example of adsorption in covalent-organic frameworks;Chemical Engineering Science;2024-10

2. dxtb—An efficient and fully differentiable framework for extended tight-binding;The Journal of Chemical Physics;2024-08-09

3. Enantiomer Differentiation by Interaction-Specific Prediction of Residual Dipolar Couplings in Spherical-like Molecules;Journal of Chemical Theory and Computation;2024-08-05

4. A DFT/MRCI Hamiltonian parameterized using only ab initio data: I. valence excited states;The Journal of Chemical Physics;2024-06-10

5. Deep-Learning Density Functional Perturbation Theory;Physical Review Letters;2024-02-28