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start [2020/06/03 17:27]
visscher [News]
start [2020/09/23 17:52]
aspg
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 ===== News ===== ===== News =====
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 +2020-09-21 New paper: Bruno Senjean, Souloke Sen, Michal Repisky, Gerald Knizia and Lucas Visscher //​Generalization of intrinsic orbitals to Kramers-paired quaternion spinors, molecular fragments and valence virtual spinors// ​ [[https://​arxiv.org/​abs/​2009.08671|(arXiv)]]
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 +2020-06-13 New paper: Elke Fasshauer: //Effect of spin–orbit coupling on decay widths of electronic decay processes//,​ J. Chem. Phys. 152, 224307 (2020) [[https://​doi.org/​10.1063/​5.0002243|(electronic version)]]
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 2020-06-03: The 23rd DIRAC meeting has started. 2020-06-03: The 23rd DIRAC meeting has started.
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 {{:​dm_2020_1.png?​direct&​200|}}{{:​dn_2020_2.png?​direct&​200|}} {{:​dm_2020_1.png?​direct&​200|}}{{:​dn_2020_2.png?​direct&​200|}}
  
-2020-04-10 New paper: Susi Lehtola, Lucas Visscher, Eberhard Engel: //Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets//, J. Chem. Phys. 152 (2020) 144105 [[ https://​doi.org/​10.1063/​5.0004046|(electronic version)]])+2020-04-10 New paper: Susi Lehtola, Lucas Visscher, Eberhard Engel: //Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets//, J. Chem. Phys. 152 (2020) 144105 [[ https://​doi.org/​10.1063/​5.0004046|(electronic version)]]
  
  
start.txt · Last modified: 2020/11/19 15:20 by aspg