Academic Achievements
Second-Order Analytic Derivatives for XYG3 Type of Doubly Hybrid Density Functionals: Theory, Implementation, and Application to Harmonic and Anharmonic Vibrational Frequency Calculations
Dec 13, 2021 |
  • Journal:
     Journal of Chemical Theory and Computation
  • Document Code:
     HS10524
  • Volume:
     17
  • Issue:
     8
  • Page Number:
     4860-4871
  • Translation or Not:
     no
  • Date of Publication:
     Jan 1, 2021