2019-10-01 19:13:31 +02:00
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\BOOKMARK [0][-]{section*.2}{Mixing density functional theory and wave function theory for strong correlation: the best of both worlds}{}% 2
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2019-05-27 18:10:40 +02:00
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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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2019-10-02 20:18:19 +02:00
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\BOOKMARK [2][-]{section*.5}{Basic formal equations}{section*.4}% 5
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\BOOKMARK [2][-]{section*.6}{Definition of an effective interaction within B}{section*.4}% 6
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2019-10-11 19:06:22 +02:00
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\BOOKMARK [2][-]{section*.7}{Definition of a range-separation parameter varying in real space}{section*.4}% 7
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2019-10-13 13:00:39 +02:00
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\BOOKMARK [2][-]{section*.8}{Generic form and properties of the approximations for B[n\(r\)] }{section*.4}% 8
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\BOOKMARK [3][-]{section*.9}{Generic form of the approximated functionals}{section*.8}% 9
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\BOOKMARK [3][-]{section*.10}{Properties of approximated functionals}{section*.8}% 10
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2019-10-16 11:38:24 +02:00
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\BOOKMARK [2][-]{section*.11}{Requirements for the approximated functionals in the strong correlation regime}{section*.4}% 11
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2019-10-13 13:00:39 +02:00
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\BOOKMARK [3][-]{section*.12}{Requirements: separability of the energies and Sz invariance}{section*.11}% 12
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2019-10-16 11:38:24 +02:00
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\BOOKMARK [3][-]{section*.13}{Condition for the functional XB[n,,s,n\(2\),B] to obtain Sz invariance}{section*.11}% 13
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\BOOKMARK [3][-]{section*.14}{Conditions on B for the extensivity}{section*.11}% 14
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\BOOKMARK [2][-]{section*.15}{Different types of approximations for the functional}{section*.4}% 15
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\BOOKMARK [3][-]{section*.16}{Definition of the protocol to design functionals}{section*.15}% 16
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2019-10-30 19:29:02 +01:00
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\BOOKMARK [3][-]{section*.17}{Definition of functionals with good formal properties}{section*.15}% 17
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2019-10-16 11:38:24 +02:00
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\BOOKMARK [1][-]{section*.18}{Results}{section*.2}% 18
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2019-11-03 19:45:20 +01:00
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\BOOKMARK [2][-]{section*.19}{Computational details}{section*.18}% 19
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\BOOKMARK [2][-]{section*.20}{Dissociation of equally distant H10 chains}{section*.18}% 20
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2019-11-09 17:14:11 +01:00
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\BOOKMARK [2][-]{section*.21}{Dissociation of N2, O2 and F2}{section*.18}% 21
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2019-11-04 01:40:17 +01:00
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\BOOKMARK [1][-]{section*.22}{Conclusion}{section*.2}% 22
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