Top network posts
- 18 How to incorporate the effect of spin-orbit coupling in electronic structure calculation
- 17 What is the difference between BDFT and CDFT (magnetic-field DFT and current DFT)?
- 15 Does anyone know any software for MD simulation which include the effect of magnetic field?
- 13 In which situations/problems, does one need to employ the nonorthogonal configuration interaction method?
- 10 Are there any programs that can do non-orthogonal CI?
- 10 How to find out the total functional form of the forcefield that is being used for a current simulation in GROMACS?
- 8 What is the "overcoherence problem" in Ehrenfest dynamics?
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