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Osman Mamun
  • Member for 8 years, 9 months
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3 votes
0 answers
52 views

Computational determination of unique adosrption sites

9 votes
2 answers
2k views

Python command line tool to get chemical structure

3 votes
1 answer
633 views

Number of two electron integrals

30 votes
1 answer
12k views

What is the difference between dynamic and static electronic correlation

8 votes
1 answer
980 views

Why is coulomb integral is called local while the corresponding exchange integral is called non-local

6 votes
1 answer
1k views

Why does the local density approximation (LDA) overestimate atomization energy?

3 votes
2 answers
403 views

Hybrid functional calculations using different approach

1 vote
0 answers
254 views

Transition metals have a half filled s band in their metallic states

8 votes
1 answer
759 views

Why is the square of the wavefunction a probability density?

5 votes
1 answer
498 views

Carbohydrate conformations

6 votes
1 answer
991 views

Carbohydrate configurations