turboTDDFT 2.0 -- hybrid functionals and new algorithms within time-dependent density-functional perturbation theory
Publication:2520068
DOI10.1016/j.cpc.2014.03.005zbMath1351.81009arXiv1402.0486OpenAlexW2017726476MaRDI QIDQ2520068
Xiaochuan Ge, Dario Rocca, Simon J. Binnie, Stefano Baroni, Ralph Gebauer
Publication date: 12 December 2016
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1402.0486
Software, source code, etc. for problems pertaining to quantum theory (81-04) Quantum dynamics and nonequilibrium statistical mechanics (general) (82C10) Molecular physics (81V55) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)
Related Items (3)
Cites Work
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- An iterative method for calculating several of the extreme eigensolutions of large real non-symmetric matrices
- The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
- \texttt{turboTDDFT} -- a code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
- Stability conditions and nuclear rotations in the Hartree-Fock theory
- Pseudo-Hermiticity versus PT symmetry: The necessary condition for the reality of the spectrum of a non-Hermitian Hamiltonian
- Pseudo-Hermiticity versus PT-symmetry III: Equivalence of pseudo-Hermiticity and the presence of antilinear symmetries
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