Potential energy surfaces
Several potential energy surfaces are currently available for download:
O(1D) + HCl
Peterson et al., J. Chem. Phys. 111, 7446 (1999)
Bittererova et al., J. Chem. Phys. 113, 6186 (2000)
O(3P) + HCl
Ramachandran and Peterson, J. Chem. Phys. 119, 9590 (2003)
- (3A" surface): rkhs_pes_3Adp.f, threebody_3Adp_255cm.txt, threebody_3Adp_521cm.txt
- (3A' surface): rkhs_pes_3Ap.f, threebody_3Ap_490.txt
O(1D) + HBr
Peterson, J. Chem. Phys. 113, 4598 (2000)
H + H2
Born-Oppenheimer PES:
Mielke et al., J. Chem. Phys. 116, 4142 (2002)
Born-Huang PES:
Mielke et al., J. Phys. Chem. A 113, 4749 (2009)
- pescci-bh.f (CCI-BH)
He + CO
Peterson and McBane, J. Chem. Phys. 123, 084314 (2005)
Hg + Br2
Balabanov, Shepler, and Peterson, J. Phys. Chem. A 109, 8765 (2005)
