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Material Type: Artigo
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A state-specific multireference coupled-cluster method based on the bivariational principleBodenstein, Tilmann ; Kvaal, SimenThe Journal of chemical physics, 2020-07, Vol.153 (2), p.024106-024106 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Ab initio molecular dynamics with screened Lorentz forces. I. Calculation and atomic charge interpretation of Berry curvatureCulpitt, Tanner ; Peters, Laurens D. M. ; Tellgren, Erik I. ; Helgaker, TrygveThe Journal of chemical physics, 2021-07, Vol.155 (2), p.024104-024104 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Dynamic density functional theory for the charging of electric double layer capacitorsMa, Ke ; Janssen, Mathijs ; Lian, Cheng ; van Roij, RenéThe Journal of chemical physics, 2022-02, Vol.156 (8), p.084101-084101 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Generalized Kohn–Sham iteration on Banach spacesLaestadius, Andre ; Penz, Markus ; Tellgren, Erik I. ; Ruggenthaler, Michael ; Kvaal, Simen ; Helgaker, TrygveThe Journal of chemical physics, 2018-10, Vol.149 (16), p.164103-164103 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Hamiltonian and alias-free hybrid particle–field molecular dynamicsBore, Sigbjørn Løland ; Cascella, MicheleThe Journal of chemical physics, 2020-09, Vol.153 (9), p.094106-094106 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Laser-induced dynamic alignment of the HD molecule without the Born–Oppenheimer approximationAdamowicz, L. ; Kvaal, S. ; Lasser, C. ; Pedersen, T. B.The Journal of chemical physics, 2022-10, Vol.157 (14), p.144302-144302 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Molecular dynamics of linear molecules in strong magnetic fieldsMonzel, Laurenz ; Pausch, Ansgar ; Peters, Laurens D. M. ; Tellgren, Erik I. ; Helgaker, Trygve ; Klopper, WimThe Journal of chemical physics, 2022-08, Vol.157 (5), p.054106-054106 [Periódico revisado por pares]Melville: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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Molecular vibrations in the presence of velocity-dependent forcesTellgren, Erik I. ; Culpitt, Tanner ; Peters, Laurens D. M. ; Helgaker, TrygveThe Journal of chemical physics, 2023-03, Vol.158 (12), p.124124-124124 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Artigo
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On the time-dependent electrolyte Seebeck effectSehnem, André Luiz ; Janssen, MathijsThe Journal of chemical physics, 2021-04, Vol.154 (16), p.164511-164511 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
10 |
Material Type: Artigo
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Surface and bulk relaxation of vapor-deposited polystyrene glassesYin, Junjie ; Pedersen, Christian ; Thees, Michael F. ; Carlson, Andreas ; Salez, Thomas ; Forrest, James A.The Journal of chemical physics, 2023-03, Vol.158 (9), p.094901-094901 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |