المؤلفون: Polack, E., Mikhalev, A., Dusson, Geneviève, Stamm, B., Lipparini, F.

المساهمون: Laboratoire de Mathématiques de Besançon (UMR 6623) (LMB), Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté COMUE (UBFC)-Université Bourgogne Franche-Comté COMUE (UBFC), Center for Computational Engineering Science Aachen (CCSE), Rheinisch-Westfälische Technische Hochschule Aachen University (RWTH), Dipartimento di Chimica e Chimica Industriale, University of Pisa - Università di Pisa, ANR-15-IDEX-0003,BFC,ISITE " BFC(2015)

المصدر: ISSN: 0026-8976.

مصطلحات موضوعية: density guess, ab-initio molecular dynamics, geometry optimization, Self-consistent field, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]

العلاقة: info:eu-repo/semantics/altIdentifier/arxiv/2003.11802; hal-02519271; https://hal.science/hal-02519271Test; https://hal.science/hal-02519271v3/documentTest; https://hal.science/hal-02519271v3/file/revised.pdfTest; ARXIV: 2003.11802

الإتاحة: https://doi.org/10.1080/00268976.2020.1779834Test
https://hal.science/hal-02519271Test
https://hal.science/hal-02519271v3/documentTest
https://hal.science/hal-02519271v3/file/revised.pdfTest

المؤلفون: Polack, E., Mikhalev, A., Dusson, Geneviève, Stamm, B., Lipparini, F.

المساهمون: Laboratoire de Mathématiques de Besançon (UMR 6623) (LMB), Université de Franche-Comté (UFC)-Centre National de la Recherche Scientifique (CNRS), Center for Computational Engineering Science [Aachen] (CCSE), Rheinisch-Westfälische Technische Hochschule Aachen (RWTH), Dipartimento di Chimica e Chimica Industriale, University of Pisa - Università di Pisa

مصطلحات موضوعية: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Self-consistent field, density guess, geometry optimization, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], ab-initio molecular dynamics

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=od_______212::168ee7e17cc13ae0b51a2f139b2525c9Test
https://hal.archives-ouvertes.fr/hal-02519271v2/documentTest

المؤلفون: Polack, E, Mikhalev, A, Dusson, Geneviève, Stamm, B, Lipparini, F

المساهمون: Laboratoire de Mathématiques de Besançon (UMR 6623) (LMB), Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Center for Computational Engineering Science [Aachen] (CCSE), Rheinisch-Westfälische Technische Hochschule Aachen (RWTH), Dipartimento di Chimica e Chimica Industriale, University of Pisa - Università di Pisa

مصطلحات موضوعية: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Self-consistent field, density guess, geometry optimization, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], ab-initio molecular dynamics

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=od_______212::2b3687ae43963e98e382826c6ead04f8Test
https://hal.archives-ouvertes.fr/hal-02519271Test