Timeline for What is the theoretical justification for state averaging in SA-CASSCF?
Current License: CC BY-SA 4.0
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| Dec 24, 2023 at 21:49 | comment | converted from answer | Josip Hendekovic | The answer is given in my paper of over 40 years ago. Josip Hendekovic, On the energy variation method, Chem. Phys. Letters 90,(1982) 198. Two new theorems are proved, specifically with excited states in mind. On request I will send a copy! | |
| May 2, 2019 at 21:00 | comment | added | user1420303 | Sorry, I never used that method so do not take my comments seriously. What you wrote seems reasonable to me, I bet it depends on what will you do with those results. I hear that the states provided by that method are orthogonal to each others, which could be advantageous for someone. | |
| Apr 26, 2019 at 23:15 | history | edited | Martin - マーチン♦ |
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| Apr 26, 2019 at 21:58 | history | edited | A.K. |
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| Apr 22, 2019 at 15:01 | history | tweeted | twitter.com/StackChemistry/status/1120341754597793793 | ||
| Apr 21, 2019 at 23:55 | history | edited | A.K. |
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| Apr 11, 2019 at 21:31 | history | asked | Max | CC BY-SA 4.0 |