Matter Modeling
Y. Zhai's user avatar
Y. Zhai's user avatar
Y. Zhai's user avatar
Y. Zhai
  • Member for 3 years, 4 months
  • Last seen more than a month ago
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All Questions Answers
Score Newest
answer
17
Is there a free package with robust CASSCF functionality?
May 7, 2020
question
16
How can I visualize the trajectory of a VASP simulation?
Oct 23, 2020
answer
13
Are dispersion correction methods for DFT (such as D3) useful for geometry optimization?
May 7, 2021
question
9
How can I simulate the work function given by Ultraviolet Photoelectron Spectrum (UPS)?
Nov 12, 2020
answer
8
Alternatives to VEDA 4 vibrational energy distribution analysis software?
Jul 11, 2020
answer
8
What is the procedure for constructing an ab initio potential energy surface for CH3Cl + Ar?
Dec 25, 2020
answer
7
Transformation between two different sets of molecular vibrational normal coordinate systems
Jul 1, 2021
answer
6
Morse potential for phonons in solids instead of the harmonic potential approximation?
Sep 4, 2020
answer
5
Finding normal mode vectors vs. vibrational frequencies?
Aug 2, 2022
answer
5
Can I use two different codes?
Sep 4, 2020
Top network posts
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15
What is the difference between asking a question using 是不是 and 吗?
6
Creating fillable PDFs
5
What's the difference between 主任 and 主管?

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