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This directory contains all potential energy surfaces implemented
to the MCTDH package (except for the I2Ar surface, which is not made 
open by the author of that routine).

Move or copy the desired routines (and, if needed, their data sets) to
your $MCTDH_DIR/source/surfaces directory. Alternatively one may set links
in the surface directory. This is most easily done by running the script
mklinks. (Try mklinks -h).  



CONTENT:

FILE          SYSTEM                         DESCRIPTION

bkmp2.f       H+H2              BKMP2: Boothroyd, Keogh, Martin, Peterson 
                                JCP 104, 7139 (1996) and JCP 95, 4343 (1991)

c2h.F         C2H               C2H 1A' and C2H 2A'' from Martial

h2o.f         H2O               Potential PJT2 due Polyansky, Jensen and Tennyson,
                                J. Chem. Phys., 105, 6490-6497 (1996)
                                J. Chem. Phys., 101, 7651 (1994)

h4bmkp.f      H2+H2             Boothroyd et al. J. Chem. Phys.
                                116, 666, (2002).    

h4srf.f       H2+H2             Aguado et al. J.C.P. 101, 4004, (1994)

hoosrf.f      HO2               HOO surface. DMBE IV of Varadas 
                                J.Phys.Chem. 94 8073 (1990)

hcn.F         HCN               J.M. Bowman, B. Gazdy, J.A. Bentley, T.J. Lee,
                                C.E. Dateo, J. Chem. Phys. 99 (1993) 308

licnsrf.f     LiCN              R. Essers, J. Tennyson and P.E.S. Wormer: 
                                Chem. Phys. Lett. 89, 223 (1982).

lsth.f        H+H2              Truhlar,Horowitz, JCP 68, 2466 (1978) and 
                                JCP 71, 1541 (1979). 

nocl1sch.F    NOCl (S1)         NOCl S1 PES from R. Schinke

tully.f       CO - Cu(surface)  Tully et al., J. Vac. Sci. Technol. 
                                          A 11(4), (1993), 1914-1920  

wslfh.F       H2+OH             WSLFH Surface for H3O from Wu,Schatz, Lendvay,
                                      Fang and Harding (JCP, 113 3150 (2000)

yzcl.F        H2+OH             YZCL1,YZCL2 Surfaces for H3O from 
                                Yang,Zhang,Collins and Lee
                                JCP, 115 174 (2001)

wdse.f        H2+OH             WDSE Surface for H3O from Walch, Dunning, 
                                Schatz and Elgersma, JCP 72, 1303 (1980), 
                                JCP 73, 21 (1980) and JCP 100, 402 (1994).

