Orthogonality constrained calculations of MC SCF excited states in non-adiabatic regions
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
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2. Minimization principle for non degenerate excited states (independent of orthogonality to lower lying known approximants);Journal of Computational Methods in Sciences and Engineering;2016-06-06
3. Spin–flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated molecules;Phys. Chem. Chem. Phys.;2014-09-15
4. Potential Energy Surfaces for LiH2 and Photochemical Reactions Li*+ H2 ↔ LiH + H;The Journal of Physical Chemistry A;1999-11-19
5. Quenching of Li ( 2 P) by H 2 : potential energy surfaces, conical intersection seam, and diabatic bases;Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta);1998-11-30
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