20 lines
1.6 KiB
Plaintext
20 lines
1.6 KiB
Plaintext
\BOOKMARK [0][-]{section*.2}{Mixing density functional theory and wave function theory for strong correlation: the best of both worlds}{}% 2
|
|
\BOOKMARK [1][-]{section*.1}{Abstract}{section*.2}% 1
|
|
\BOOKMARK [1][-]{section*.3}{Introduction}{section*.2}% 3
|
|
\BOOKMARK [1][-]{section*.4}{Theory}{section*.2}% 4
|
|
\BOOKMARK [2][-]{section*.5}{Basic formal equations}{section*.4}% 5
|
|
\BOOKMARK [2][-]{section*.6}{Definition of an effective interaction within B}{section*.4}% 6
|
|
\BOOKMARK [2][-]{section*.7}{Definition of a range-separation parameter varying in real space}{section*.4}% 7
|
|
\BOOKMARK [2][-]{section*.8}{Generic form and properties of the approximations for B[n\(r\)] }{section*.4}% 8
|
|
\BOOKMARK [3][-]{section*.9}{Generic form of the approximated functionals}{section*.8}% 9
|
|
\BOOKMARK [3][-]{section*.10}{Properties of approximated functionals}{section*.8}% 10
|
|
\BOOKMARK [2][-]{section*.11}{Requirements for the approximated functionals in the strong correlation }{section*.4}% 11
|
|
\BOOKMARK [3][-]{section*.12}{Requirements: separability of the energies and Sz invariance}{section*.11}% 12
|
|
\BOOKMARK [3][-]{section*.13}{Condition for the functional PBEB[n,,s,n\(2\),B] to obtain Sz invariance}{section*.11}% 13
|
|
\BOOKMARK [2][-]{section*.14}{Requirement on B for the extensivity}{section*.4}% 14
|
|
\BOOKMARK [2][-]{section*.15}{Approximations for the strong correlation regime}{section*.4}% 15
|
|
\BOOKMARK [3][-]{section*.16}{Definition of the different types of functionals}{section*.15}% 16
|
|
\BOOKMARK [1][-]{section*.17}{Results}{section*.2}% 17
|
|
\BOOKMARK [2][-]{section*.18}{Numerical tests of extensivity}{section*.17}% 18
|
|
\BOOKMARK [1][-]{section*.19}{Conclusion}{section*.2}% 19
|