Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis
Author:
Affiliation:
1. Section of Theoretical Chemistry, VU University Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
2. Laboratory of Physical Chemistry, ETH Zürich, Vladimir-Prelog-Weg 2, CH-8093 Zürich, Switzerland
Funder
Deutsche Forschungsgemeinschaft (DFG)
Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)
Wellcome Trust
National Institutes of Health
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4984591
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1. Insights for Light-Driven Molecular Devices from Ab Initio Multiple Spawning Excited-State Dynamics of Organic and Biological Chromophores
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4. A quadratically convergent multiconfiguration–self‐consistent field method with simultaneous optimization of orbitals and CI coefficients
5. A quadratically convergent MCSCF method for the simultaneous optimization of several states
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