GGA_C_BMK
Boese-Martin correlation for kinetics [Edit on GitHub]
Keywords
Keyword descriptions
- SECTION_PARAMETERS: logical = F
Lone keyword:
T
Activates the functional. [Edit on GitHub]
- SCALE: real = 1.00000000E+000
Scales this functional [Edit on GitHub]
- _COS0: real = 1.22334000E+000
u^0 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS1: real = -3.46310000E+000
u^1 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS2: real = 1.00731000E+001
u^2 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS3: real = -1.11974000E+001
u^3 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS4: real = 0.00000000E+000
u^4 coefficient for opposite-spin correlation [Edit on GitHub]
- _CSS0: real = -2.19098000E+000
u^0 coefficient for same-spin correlation [Edit on GitHub]
- _CSS1: real = 2.38939000E+001
u^1 coefficient for same-spin correlation [Edit on GitHub]
- _CSS2: real = -4.43303000E+001
u^2 coefficient for same-spin correlation [Edit on GitHub]
- _CSS3: real = 2.25982000E+001
u^3 coefficient for same-spin correlation [Edit on GitHub]
- _CSS4: real = 0.00000000E+000
u^4 coefficient for same-spin correlation [Edit on GitHub]