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all
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add scripts
|
2022-01-28 22:56:12 +01:00 |
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Be2_cc-pvqz
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update PES
|
2021-11-03 18:08:46 +01:00 |
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Be2_cc-pvtz
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update, still mising SI figs
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2022-03-06 00:47:19 +01:00 |
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benzene_cc-pvdz/GS_HF
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update
|
2022-02-03 10:34:08 +01:00 |
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determinants
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update
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2022-02-06 20:22:32 +01:00 |
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ethylene_cc-pvdz
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fitting details and corrected ethylene
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2022-03-07 15:36:36 +01:00 |
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excitation_energies
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abstract
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2022-03-06 15:13:41 +01:00 |
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F2_cc-pvdz
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update scripts
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2022-03-06 18:39:51 +01:00 |
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F2_cc-pvtz
|
update
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2022-02-01 20:49:03 +01:00 |
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H2O_cc-pvdz
|
update
|
2022-02-18 09:55:37 +01:00 |
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H4_cc-pvdz
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fitting details and corrected ethylene
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2022-03-07 15:36:36 +01:00 |
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H8_cc-pvdz
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fitting details and corrected ethylene
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2022-03-07 15:36:36 +01:00 |
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HF_aug-cc-pvtz
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update, still mising SI figs
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2022-03-06 00:47:19 +01:00 |
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HF_cc-pvdz
|
fitting details and corrected ethylene
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2022-03-07 15:36:36 +01:00 |
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HF_cc-pvqz
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saving work
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2022-03-04 22:40:52 +01:00 |
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HF_cc-pvtz
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corrections
|
2022-03-08 18:22:56 +01:00 |
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LiH_cc-pvdz
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update
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2022-02-01 20:49:03 +01:00 |
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Manuscript
|
OK with manuscript
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2022-03-09 11:15:29 +01:00 |
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N2_cc-pvdz
|
update, still mising SI figs
|
2022-03-06 00:47:19 +01:00 |
|
Ne_cc-pvtz
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add scripts
|
2022-01-28 22:56:12 +01:00 |
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NPE
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update
|
2022-02-22 19:22:35 +01:00 |
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plot_all
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corrections
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2022-03-08 18:22:56 +01:00 |
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cp_to_manuscript.sh
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further corrections
|
2022-03-08 22:55:52 +01:00 |
|
README.md
|
update PES
|
2021-11-03 18:08:46 +01:00 |
