GGA_C_BMK

Boese-Martin correlation for kinetics [Edit on GitHub]

Keywords

SECTION_PARAMETERS
SCALE
_COS0
_COS1
_COS2
_COS3
_COS4
_CSS0
_CSS1
_CSS2
_CSS3
_CSS4

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]