The half projected Hartree-Fock function for determining singlet excited states. Application to cyclobutanone and 3-cyclopenten-1-one
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference23 articles.
1. Half-Projected and Projected Hartree-Fock Calculations for Singlet Ground States. i. four-Electron Atomic Systems
2. Half-projected and projected Hartree-Fock calculations for singlet ground states. II. Lithium hydride
3. Analysis of the half-projected Hartree-Fock function: Density matrix, natural orbitals, and configuration interaction equivalence
4. Half-projected Hartree-Fock model for computing potential-energy surfaces
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1. The photodissociation dynamics and ultrafast electron diffraction image of cyclobutanone from the surface hopping dynamics simulation;The Journal of Chemical Physics;2024-06-10
2. Half‐Projected Hartree–Fock method: History and application to excited states of the same symmetry as the ground state;International Journal of Quantum Chemistry;2022-02-03
3. Symmetry-Adapted Perturbation with Half-Projection for Spin Unrestricted Geminals;Journal of Chemical Theory and Computation;2021-06-04
4. Half-Projection of the Strongly Orthogonal Unrestricted Geminals’ Product Wave Function;Journal of Chemical Theory and Computation;2019-12-20
5. New insights into photodissociation dynamics of cyclobutanone from the AIMS dynamic simulation;The Journal of Chemical Physics;2016-04-14
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