Table 3. Optimized parameters of the MN15 functional.
| Exchange |
Correlation |
X a | ||||
| a 000 | 0.073852235 | a 102 | 6.89391326 | b 0 | 1.093250748 | 44 |
| a 001 | –0.839976156 | a 103 | 2.489813993 | b 1 | –0.269735037 | |
| a 002 | –3.082660125 | a 104 | 1.454724691 | b 2 | 6.368997613 | |
| a 003 | –1.02881285 | a 110 | –5.054324071 | b 3 | –0.245337101 | |
| a 004 | –0.811697255 | a 111 | 2.35273334 | b 4 | –1.587103441 | |
| a 005 | –0.063404387 | a 112 | 1.299104132 | b 5 | 0.124698862 | |
| a 010 | 2.54805518 | a 113 | 1.203168217 | b 6 | 1.605819855 | |
| a 011 | –5.031578906 | a 120 | 0.121595877 | b 7 | 0.466206031 | |
| a 012 | 0.31702159 | a 121 | 8.048348238 | b 8 | 3.484978654 | |
| a 013 | 2.981868205 | a 122 | 21.91203659 | |||
| a 014 | –0.749503735 | a 200 | –1.852335832 | c 0 | 1.427424993 | |
| a 020 | 0.231825661 | a 201 | –3.4722735 | c 1 | –3.57883682 | |
| a 021 | 1.261961411 | a 202 | –1.564591493 | c 2 | 7.398727547 | |
| a 022 | 1.665920815 | a 203 | –2.29578769 | c 3 | 3.927810559 | |
| a 023 | 7.483304941 | a 210 | 3.666482991 | c 4 | 2.789804639 | |
| a 030 | –2.544245723 | a 211 | 10.87074639 | c 5 | 4.988320462 | |
| a 031 | 1.384720031 | a 212 | 9.696691388 | c 6 | 3.079464318 | |
| a 032 | 6.902569885 | a 300 | 0.630701064 | c 7 | 3.521636859 | |
| a 100 | 1.657399451 | a 301 | –0.505825216 | c 8 | 4.769671992 | |
| a 101 | 2.98526709 | a 302 | –3.562354535 | |||
a X denotes the percentage of Hartree–Fock exchange.