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Y. Zhai

Apparently, this user prefers to keep an air of mystery about them.

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  • Member for 1 year, 2 months
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15 How can I visualize the trajectory of a VASP simulation? Oct 23 '20
14 Is there a free package with robust CASSCF functionality? May 7 '20
13 Are dispersion correction methods for DFT (such as D3) useful for geometry optimization? May 7
9 How can I simulate the work function given by Ultraviolet Photoelectron Spectrum (UPS)? Nov 12 '20
8 What is the procedure for constructing an ab initio potential energy surface for CH3Cl + Ar? Dec 25 '20
8 Alternatives to VEDA 4 vibrational energy distribution analysis software? Jul 11 '20
6 Morse potential for phonons in solids instead of the harmonic potential approximation? Sep 4 '20
5 Transformation between two different sets of molecular vibrational normal coordinate systems Jul 1
5 Can I use two different codes? Sep 4 '20

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