Recent advances in wave function-based methods of molecular-property calculations.
By Trygve Helgaker, S. Coriani, P. Jørgensen, K. Kristensen, J. Olsen, K. Ruud. Chemical Reviews, 2012
603 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy
View Paper: https://www.semanticscholar.org/paper/b5b3ee6ef5a852eca7ab7ea10c734541eb5ba2fd
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In Atomic and Molecular Physics, and Optics
In Spectroscopy
Citations in the corpus
- Real‐time time‐dependent electronic structure theory (2018, methodology): “) Notably, this principle also appears in the quasi-energy formalism used to derive working equations in response theory.(123) McLauchlan criticized the Dirac–Frenkel principle for not being a ‘true’ variational principle and so suggested solving the minimization problem”
- Cold hybrid ion-atom systems (2017, methodology): “(1) with total energies obtained by solving the many-body Schrödinger equation for specific electronic Hamiltonians with methods of quantum chemistry (Helgaker et al., 2012, 2000).”