cc From: Eite Tiesinga [eite@titan.nist.gov] cc Sent: Monday, December 20, 1999 10:47 AM cc To: brett-mckinney@ou.edu cc Subject: 3sigma Rb potential C Dear Brett McKinney and Deborah Watson C C Herewidth I send you the 3\Sigma_u potential of Rb87. C The enclosed fortran code reads several data files that C I will send as well. These files are read the first C time you call the routine SYS_SS_POT. C The files are C s.Rb_1sg.raw C s.Rb_3su.raw C pot.rb.c6ret C pot.rb.c8ret C pot.rb.c10ret C These files are expected in the directory where you run your C own codes. All you need to do is use the function SYS_SS_POT(R) C C The fortran code will probably only compile with fortran 90. C C The internuclear separation and the energy are in atomic units. C The zero of energy is at the dissociation limit. C C Some other relevant properties of this potential are: C C The value for C6=4784 au. It has a minimum of 201 cm-1 at C 11.65 bohr. The inner wall is at 9.6 bohr. C C It's scattering length should be +100 bohr. C The potential has 38 bound states. C C Regards, C Eite C C======================================================================= C======================================================================= implicit none real*8 r, v, sys_ss_pot integer i open(unit=33,file='triplet.data') do i=1,601 r=0.05d0*i v=sys_ss_pot(r) write(33,*)r,v,v*2.1947462d5 end do close(unit=33) stop end