| |
 |
 3D ADIABATIC POTENTIAL ENERGY SURFACES |
H5+ |
|
Li -HF |
|
O-HF |
|
| |
|
|
| |
|
|
| |
|
|
| |
|
|
| |
 |
ground triplet state OHF(1 3A''), J. Chem. Phys. 121,(2004), 4605. |
| |
|
|
ohf-pot-triplet-1App |
| |
|
|
|
| |
|
Excited triplet states, OHF(2 3A'', 1 3A') ,J. Chem. Phys., 123, (2005), 114310. |
| |
|
 |
ohf-pot-triplet-2App.f |
| |
|
|
ohf-pot-triplet-1Ap.f |
| |
|
|
|
| |
|
2x2 Coupled Diabatic states, OHF(^3Sigma and ^3Pi) ,J. Chem. Phys., 125, (2006), 164321. |
| |
|
|
coupling-lamcoef |
| |
|
|
e0-lamcoef |
| |
|
|
e1-lamcoef |
| |
|
|
F-OH-tripletes-2x2diabatic.f |
| |
|
|
| |
|
|
ohf-pot-singlet-1Ap.f |
| |
|
|
ohf-pot-singlet-2Ap.f |
| |
|
|
ohf-pot-singlet-3Ap.f |
| |
|
|
ohf-pot-singlet-1App.f |
| |
|
|
ohf-pot-singlet-2App.f |
| |
| |
|
|
| |
|
|
|
|
 |
|
H3+ |
|
| |
| |
|
|
| |
|
|
| |
|
|
| |
|
Ground Singlet State, H3+ (1A'),J. Chem. Phys., 112, (2000), 1240 |
| |
|
|
h3p-pot-singlet.f |
| |
|
|
|
| |
|
First Triplet State, H3+ ( 3A'), J. Chem. Phys., 114, (2001), 2182 |
| |
|
|
h3p-pot-triplet.f |
| |
|
|
| |
|
|
|
|
|
|
Ca HCl |
|
|
 |
|
|
|
|
