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Material Type: Artigo
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High-precision Ramsey-comb spectroscopy on molecular deuterium for tests of molecular quantum theoryRoth, Charlaine ; de Velasco, Andrés Martínez ; Gründeman, Elmer L. ; Collombon, Mathieu ; Beyer, Maximilian ; Barbé, Vincent ; Eikema, Kjeld S. E.Molecular physics, 2023-09, Vol.121 (17-18) [Periódico revisado por pares]Abingdon: Taylor & FrancisTexto completo disponível |
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Material Type: Artigo
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Scientific input by Per-Olov Löwdin to the Quantum Theory ProjectLinderberg, JanMolecular physics, 2010-11, Vol.108 (21-23), p.2847-2851 [Periódico revisado por pares]Abingdon: Taylor & Francis GroupTexto completo disponível |
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Material Type: Artigo
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Isotope shifts and band progressions in SO2 rovibrational energy levels: using quantum theory to extract rotational constantsKumar, Praveen ; Poirier, BillMolecular physics, 2019-09, Vol.117 (18), p.2456-2469 [Periódico revisado por pares]Abingdon: Taylor & FrancisTexto completo disponível |
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Material Type: Artigo
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New insights from domain-averaged Fermi holes and bond order analysis into the bonding conundrum in C2Cooper, David L. ; Ponec, Robert ; Kohout, MiroslavMolecular physics, 2016-04, Vol.114 (7-8), p.1270-1284 [Periódico revisado por pares]Abingdon: Taylor & FrancisTexto completo disponível |
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Material Type: Artigo
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Real space atomic decomposition of fundamental properties of carbon monoxide in the ground and the two lowest lying excited electronic statesTerrabuio, Luiz Alberto ; da Silva, Natieli Alves ; Haiduke, Roberto Luiz Andrade ; Matta, Chérif F.Molecular physics, 2017-08, Vol.115 (15-16), p.1955-1965 [Periódico revisado por pares]Abingdon: Taylor & Francis LtdTexto completo disponível |
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Material Type: Artigo
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Homotopy continuation methods for coupled-cluster theory in quantum chemistryFaulstich, Fabian M. ; Laestadius, AndreMolecular physics, 2023-09 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Isotope shifts and band progressions in SO 2 rovibrational energy levels: using quantum theory to extract rotational constantsKumar, Praveen ; Poirier, BillMolecular physics, 2019-09, Vol.117 (18), p.2456-2469 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Ehrenfest 'phase-space' trajectories and quantum chaos in He atom under strong, oscillating magnetic fields: an application of time-dependent quantum fluid density functional theory (TDQFDFT)Sadhukhan, Mainak ; Deb, B.M.Molecular physics, 2017-04, Vol.115 (7), p.815-824 [Periódico revisado por pares]Abingdon: Taylor & FrancisTexto completo disponível |
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Material Type: Artigo
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Simulation of electronic structure Hamiltonians using quantum computersWhitfield, James D. ; Biamonte, Jacob ; Aspuru-Guzik, AlánMolecular physics, 2011-03, Vol.109 (5), p.735-750 [Periódico revisado por pares]Abingdon: Taylor & Francis GroupTexto completo disponível |
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Material Type: Artigo
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Pre-Born-Oppenheimer molecular structure theoryMátyus, EditMolecular physics, 2019-03, Vol.117 (5), p.590-609 [Periódico revisado por pares]Abingdon: Taylor & FrancisTexto completo disponível |