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CBD_CIPSI
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remove slurm files
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2021-04-14 11:45:10 +02:00 |
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CIPSI/D4h
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last value Toto
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2021-03-29 13:29:51 +02:00 |
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D4h/spin-flip
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outputs D4h SF-TDDFT
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2021-04-15 09:12:36 +02:00 |
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Data
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new CAS results for (4,4)
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2022-04-02 18:19:41 +02:00 |
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EOM-SF-CC_2_3
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SF-TDDFT CBD
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2021-03-01 16:10:06 +01:00 |
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EOM-SF-CCSD
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input and ouput CBD
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2021-02-11 21:58:22 +01:00 |
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Manuscript
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submitted to JPCA
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2022-04-11 16:46:07 +02:00 |
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Notebooks
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Manuscript
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2021-06-10 11:10:19 +02:00 |
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References
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Autoisomerization part
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2021-12-14 13:50:37 +01:00 |
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SF-ADC
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D4h outputs
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2021-03-23 15:00:29 +01:00 |
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SF-CIS
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input and output
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2021-02-08 15:47:19 +01:00 |
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SF-CIS-D
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SF-CIS(D) AVDZ
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2021-03-10 11:07:12 +01:00 |
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SF-TDDFT
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SF-CIS(D) first basis
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2021-03-10 10:56:58 +01:00 |
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README.md
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first commit
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2021-01-25 16:33:16 +01:00 |
