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Anharmonic Vibrational States of Solids from DFT Calculations. Part I: Description of the Potential Energy Surface

Anharmonic Vibrational States of Solids from DFT Calculations. Part I: Description of the Potential Energy Surface

Erba, Alessandro; Maul, Jefferson; Ferrabone, Matteo; Carbonniere, Philippe; Rérat, Michel; Dovesi, Roberto
  • 期刊名称Journal of Chemical Theory and Computation
  • 作者Erba, Alessandro; Maul, Jefferson; Ferrabone, Matteo; Carbonniere, Philippe; Rérat, Michel; Dovesi, Roberto
  • 印刷ISSN1549-9618
  • 电子ISSN1549-9626
  • 文件大小14357.70KB
  • 发表时间2019-04-30
  • DOI10.1021/acs.jctc.9b00293
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