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
Apr 2, 2021 |
  • Journal:
     CHINESE BULLETIN OF LIFE SCIENCES
  • Document Code:
     SY17697
  • Volume:
     24
  • Issue:
     4
  • Page Number:
     374-379
  • Translation or Not:
     no
  • Date of Publication:
     Jan 1, 2012