28 lines
2.2 KiB
Plaintext
28 lines
2.2 KiB
Plaintext
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\BOOKMARK [0][-]{section*.2}{A basis-set error correction based on density-functional theory for strongly correlated molecular systems}{}% 2
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\BOOKMARK [1][-]{section*.1}{Abstract}{section*.2}% 1
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\BOOKMARK [1][-]{section*.3}{Introduction}{section*.2}% 3
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\BOOKMARK [1][-]{section*.4}{Theory}{section*.2}% 4
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\BOOKMARK [2][-]{section*.5}{Basic theory}{section*.4}% 5
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\BOOKMARK [2][-]{section*.6}{Effective interaction in a finite basis}{section*.4}% 6
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\BOOKMARK [2][-]{section*.7}{Local range-separation function}{section*.4}% 7
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\BOOKMARK [3][-]{section*.8}{General definition}{section*.7}% 8
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\BOOKMARK [3][-]{section*.9}{Frozen-core approximation}{section*.7}% 9
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\BOOKMARK [2][-]{section*.10}{General form of the complementary functional}{section*.4}% 10
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\BOOKMARK [3][-]{section*.11}{Generic approximate form}{section*.10}% 11
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\BOOKMARK [3][-]{section*.12}{Two limits where the complementary functional vanishes}{section*.10}% 12
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\BOOKMARK [2][-]{section*.13}{Requirements on the complementary functional for strong correlation}{section*.4}% 13
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\BOOKMARK [3][-]{section*.14}{Spin-multiplet degeneracy}{section*.13}% 14
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\BOOKMARK [3][-]{section*.15}{Size consistency}{section*.13}% 15
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\BOOKMARK [2][-]{section*.16}{Actual approximations used for the complementary functional}{section*.4}% 16
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\BOOKMARK [1][-]{section*.17}{Results}{section*.2}% 17
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\BOOKMARK [2][-]{section*.18}{Computational details}{section*.17}% 18
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\BOOKMARK [2][-]{section*.19}{H10 chain}{section*.17}% 19
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\BOOKMARK [2][-]{section*.20}{Dissociation of diatomics}{section*.17}% 20
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\BOOKMARK [1][-]{section*.21}{Conclusion}{section*.2}% 21
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\BOOKMARK [1][-]{section*.22}{Size consistency of the basis-set correction}{section*.2}% 22
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\BOOKMARK [2][-]{section*.23}{Sufficient condition for size consistency}{section*.22}% 23
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\BOOKMARK [2][-]{section*.24}{Intensivity of the on-top pair density and the local range-separation function}{section*.22}% 24
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\BOOKMARK [1][-]{section*.25}{Computational cost of the basis-set correction for a CASSCF wave function}{section*.2}% 25
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\BOOKMARK [2][-]{section*.26}{Computation of the on-top pair density}{section*.25}% 26
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\BOOKMARK [2][-]{section*.27}{Computation of the local range-separation function}{section*.25}% 27
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