ORCA
Online Research @ Cardiff
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Sibaev, Marat, Polyak, Iakov  ORCID: https://orcid.org/0000-0002-2894-0657, Manby, Frederick R. and Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331
2020.
Molecular second-quantized Hamiltonian: electron correlation and non-adiabatic coupling treated on an equal footing.
The Journal of Chemical Physics
153
(12)
, 124102.
10.1063/5.0018930
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Werner, Hans-Joachim, Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331, Manby, Frederick R., Black, Joshua A., Doll, Klaus, Heßelmann, Andreas, Kats, Daniel, Köhn, Andreas, Korona, Tatiana, Kreplin, David A., Ma, Qianli, Miller, Thomas F., Mitrushchenkov, Alexander, Peterson, Kirk A., Polyak, Iakov ORCID: https://orcid.org/0000-0002-2894-0657, Rauhut, Guntram and Sibaev, Marat
2020.
The Molpro quantum chemistry package.
The Journal of Chemical Physics
152
(14)
, 144107.
10.1063/5.0005081
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