# Differences

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basis_input [2022/12/01 05:02] – kirk | basis_input [2022/12/01 05:11] (current) – add VXZ-PP-F12 basis sets kirk | ||
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|wcvxz-pp | |wcvxz-pp | ||

|wcvxz-pp | |wcvxz-pp | ||

+ | |||

+ | |vxz-pp-f12 | ||

+ | |vxz-pp-f12 | ||

+ | |vxz-pp-f12 | ||

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In addition, many density fitting and resolution of the identity (RI) basis sets are available. For the correlation consistent basis sets of Dunning, the appropriate VXZ/JKFIT, VXZ/MP2FIT, AVXZ/MP2FIT sets of Weigend are chosen automatically in density fitted calculations (augmented versions AVXZ/JKFIT for Fock-matrix fitting are also available). For the def2 family of orbital basis sets, the appropriate auxiliary sets (e.g., TZVPP/JFIT, TZVPP/ | In addition, many density fitting and resolution of the identity (RI) basis sets are available. For the correlation consistent basis sets of Dunning, the appropriate VXZ/JKFIT, VXZ/MP2FIT, AVXZ/MP2FIT sets of Weigend are chosen automatically in density fitted calculations (augmented versions AVXZ/JKFIT for Fock-matrix fitting are also available). For the def2 family of orbital basis sets, the appropriate auxiliary sets (e.g., TZVPP/JFIT, TZVPP/ | ||

- | For explicitly correlated F12 calculations that use the cc-pVXZ-F12 orbital basis sets, the corresponding VXZ-F12/ | + | For explicitly correlated F12 calculations that use the cc-pVXZ-F12 or cc-pVXZ-PP-F12 orbital basis sets, the corresponding VXZ-F12/OPTRI or VXZ-PP-F12/OPTRI basis sets are used by default to construct the complementary auxiliary orbital basis (CABS). For other orbital basis sets, appropriate JKFIT sets are utilized by default. |

Example: | Example: |