Potential energy surface PES_N4_singlet_umn_v3


Potential energy surface information
SystemN4
IDPES_N4_singlet_umn_v3
Number of bodies4
Common nameN4(adiabatic ground state)
Functional formpermutation-invariant polynomials
InterfaceSection-2
Number of electronic surfaces1
Number of derivatives1
References
Bender, Valentini, Nompelis, Paukku, Varga, Truhlar,
Schwartzentruber, and Candler, Journal of Chemical 
Physics, submitted. Manuscript no. A15.02.0237
Notes
FORTRAN90 version of n4pes-gpip-meg.f
PES of N4 with special emphasize for
N2 + N2 --> N2 + N + N
- New fit based on extended dataset
A test suite can be downloaded by clicking on the link of "You may download the data file here." at the download page. (5/18/2021)

Click here to download PES_N4_singlet_umn_v3