GGA_XC_HCTH_93
HCTH/93 [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 = 7.29974000E-001
u^0 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS1: real = 3.35287000E+000
u^1 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS2: real = -1.15430000E+001
u^2 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS3: real = 8.08564000E+000
u^3 coefficient for opposite-spin correlation [Edit on GitHub]
- _COS4: real = -4.47857000E+000
u^4 coefficient for opposite-spin correlation [Edit on GitHub]
- _CSS0: real = 2.22601000E-001
u^0 coefficient for same-spin correlation [Edit on GitHub]
- _CSS1: real = -3.38622000E-002
u^1 coefficient for same-spin correlation [Edit on GitHub]
- _CSS2: real = -1.25170000E-002
u^2 coefficient for same-spin correlation [Edit on GitHub]
- _CSS3: real = -8.02496000E-001
u^3 coefficient for same-spin correlation [Edit on GitHub]
- _CSS4: real = 1.55396000E+000
u^4 coefficient for same-spin correlation [Edit on GitHub]
- _CX0: real = 1.09320000E+000
u^0 coefficient for exchange [Edit on GitHub]
- _CX1: real = -7.44056000E-001
u^1 coefficient for exchange [Edit on GitHub]
- _CX2: real = 5.59920000E+000
u^2 coefficient for exchange [Edit on GitHub]
- _CX3: real = -6.78549000E+000
u^3 coefficient for exchange [Edit on GitHub]
- _CX4: real = 4.49357000E+000
u^4 coefficient for exchange [Edit on GitHub]