manual
quickstart
instguide
update
basis
Next: C..23 MK00: Exchange Functional
Up: C. Density functional descriptions
Previous: C..21 LTA: Local Approximation
Contents
Index
C..22 LYP: Lee, Yang and Parr Correlation Functional
C. Lee, W. Yang and R. G. Parr, Phys. Rev. B 37, 785(1988); B. Miehlich, A. Savin, H. Stoll and H. Preuss, Chem. Phys. Letters 157, 200 (1989)
where
 |
(43) |
 |
(44) |
 |
(45) |
 |
(46) |
 |
(47) |
 |
(48) |
 |
(49) |
and
 |
(50) |
Next: C..23 MK00: Exchange Functional
Up: C. Density functional descriptions
Previous: C..21 LTA: Local Approximation
Contents
Index
manual
quickstart
instguide
update
basis
molpro@molpro.net 2010-07-28