mirror of
https://github.com/pfloos/quack
synced 2024-06-02 11:25:30 +02:00
29 lines
596 B
Plaintext
29 lines
596 B
Plaintext
GHF energy
|
|
-85.160473883160876
|
|
GHF HOMO energy
|
|
-0.501365804897696
|
|
GHF LUMO energy
|
|
0.203278954950924
|
|
GHF dipole moment
|
|
0.714967673390535
|
|
GMP2 correlation energy
|
|
-0.128988144318866
|
|
phGRPA corrlation energy
|
|
-0.138552809810392
|
|
phGRPAx correlation energy
|
|
-0.368057033788489
|
|
ppGRPA correlation energy
|
|
-0.092561239023951
|
|
GG0F2 correlation energy
|
|
-0.139599095383592
|
|
GG0F2 HOMO energy
|
|
-0.398113441401304
|
|
GG0F2 LUMO energy
|
|
0.189499108558060
|
|
evGGF2 correlation energy
|
|
-0.143423802624327
|
|
evGGF2 HOMO energy
|
|
-0.374883361361466
|
|
evGGF2 LUMO energy
|
|
0.188029526841004
|