A variationally stable compact Hartree–Fock-style wavefunction for a non-degenerate first excited state
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268970701618457
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1. Transition probability calculations for atoms using nonorthogonal orbitals
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1. Electronic transition dipole moments from orthogonality constrained Hartree–Fock wavefunctions;Journal of Physics B: Atomic, Molecular and Optical Physics;2017-05-17
2. Orthogonality-constrained Hartree–Fock and perturbation theory for high-spin open-shell excited states;Theoretical Chemistry Accounts;2015-12-10
3. Multireference space without first solving the configuration interaction problem;Journal of Computational Chemistry;2013-12-03
4. Improved convergence of Hartree–Fock style excited-state wavefunctions using second-order optimisation with an exact Hessian;Theoretical Chemistry Accounts;2013-09-26
5. Deflation techniques in quantum chemistry: Excited states from ground states;International Journal of Quantum Chemistry;2013-06-12
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