User TAR86 - Matter Modeling Stack Exchange

TAR86

Member for 3 years, 6 months
Last seen this week

13 Answers

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20 votes

What are the pitfalls for new users of DFT?

answered Jul 18, 2020 at 10:49

19 votes

What are some recent developments in density functional theory?

answered Jun 2, 2020 at 17:10

18 votes

What are the types of charge analysis?

answered Jul 3, 2020 at 20:53

14 votes

What are the types of charge analysis?

answered Jul 10, 2020 at 18:10

11 votes

What is the procedure for constructing an ab initio potential energy surface for CH3Cl + Ar?

answered Dec 24, 2020 at 18:08

10 votes

Analytic Hessians for meta-GGA functionals

answered Sep 12, 2020 at 8:10

9 votes

What are the types of SCF?

answered Jul 19, 2020 at 13:57

9 votes

Accepted

What do the rows and columns of a Fock matrix represent?

answered Jul 9, 2020 at 17:34

8 votes

Which software is good with generally contracted basis sets?

answered Nov 23, 2020 at 14:32

8 votes

Are there properties that can only be calculated with a given set-up?

answered Jul 22, 2020 at 13:24

7 votes

Accepted

How to calculate the Fock matrix in the molecular orbital basis PySCF?

answered Jul 17, 2020 at 5:18

6 votes

Physically motivated double hybrid DFT?

answered Jun 4, 2020 at 6:02

5 votes

What are the types of SCF?

answered Jul 20, 2020 at 18:19