Area 51 » user1420303

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5

Dec 15 '19

+5

17:35

upvote

What are the uncertainties and computational cost of some of the most used methods used in quantum chemistry for computing energies?

3

Dec 14 '19

+5 / -2

17:10

2 votes

What are the uncertainties and computational cost of some of the most used methods used in quantum chemistry for computing energies?

10

Dec 11 '19

+10

04:47

2 votes

I plan to compute the energy elimination curve of F from H3CF using MP2/cc-pVDZ. Is this a reasonable choice?

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Dec 9 '19

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Nov 15 '19

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Aug 23 '19