Matter Modeling Beta
Profile Activity
Network profile
1,109
reputation
12

Wychh

I generally find that the stack overflow moderators are no longer helpful and are over zealous. The other stack communities are great though.

3
answers
10
questions
~2k
people reached
  • Member for 11 months
  • 99 profile views
  • Last seen Apr 8 at 8:25

Communities (9)

Top network posts

Top tags (20)

Score 11
Posts 1
Posts % 8
Score 11
Posts 1
Score 2
Posts 6
Score 2
Posts 3
Score 2
Posts 2
Score 0
Posts 7
View all tags →

Top posts (13)

All Questions Answers
Votes Newest
12 What do the rows and columns of a Fock matrix represent? Jul 9 '20
11 How to calculate the Fock matrix in the molecular orbital basis PySCF? Jul 16 '20
11 Geometry optimization for n-layers in VASP Aug 18 '20
9 Normalization constant and Roothaan Equations Aug 31 '20
9 PySCF: eigenvalues, non-integer occupation, CISD calculations, and frozen lists Aug 20 '20
8 Semi-canonicalisation vs canonicalisation of the Fock matrix and orbitals Aug 18 '20
8 The correlation energy from frozen natural orbtials (FNOs) using CCSD and MPBT(2)? Jun 3 '20
7 PySCF: Implementing SHCI frozen argument Sep 30 '20
7 Monkhorst-Pack, Gamma-centred and gamma only Sep 11 '20
6 Why is my quantum chemistry software not printing as many 2e- integrals as I expect? Sep 2 '20
View all questions and answers →

Badges (12)

Gold

—

Silver

—

Bronze

12

Rarest

View all badges →

Your privacy

By clicking “Accept all cookies”, you agree Stack Exchange can store cookies on your device and disclose information in accordance with our Cookie Policy.