c
c
c Hydrogen-like functions
c
c
c Hydrogen-like functions
This little program produces values of hydrogen-like functions
c
Character * 80 allstr(20),allnam(20), anlz, funcfile
c
779 format( '# produces hydrogen radial functions')
write(*,779)
write(*,778)
778 format('# Give the power of X**ifunc * hydrad(n,l,x)')
read(*,*) ifunc
write(*,777) ifunc
775 format('# Give the Z value of the nucleus')
write(*,775)
read(*,*) Z
c
write(allstr(1),'(f3.1,a)') z,'hyd10.d'
write(allstr(2),'(f3.1,a)') z,'hyd20.d'
write(allstr(3),'(f3.1,a)') z,'hyd21.d'
write(allstr(4),'(f3.1,a)') z,'hyd30.d'
write(allstr(5),'(f3.1,a)') z,'hyd31.d'
write(allstr(6),'(f3.1,a)') z,'hyd32.d'
write(allstr(7),'(f3.1,a)') z,'hyd40.d'
write(allstr(8),'(f3.1,a)') z,'hyd41.d'
write(allstr(9),'(f3.1,a)') z,'hyd42.d'
write(allstr(10),'(f3.1,a)') z,'hyd43.d'
write(allstr(11),'(f3.1,a))') z,'pot.hyd'
if (z.gt.9.999) then
write(allstr(1),'(f4.1,a))') z,'hyd10.d'
write(allstr(2),'(f4.1,a))') z,'hyd20.d'
write(allstr(3),'(f4.1,a))') z,'hyd21.d'
write(allstr(4),'(f4.1,a))') z,'hyd30.d'
write(allstr(5),'(f4.1,a))') z,'hyd31.d'
write(allstr(6),'(f4.1,a))') z,'hyd32.d'
write(allstr(7),'(f4.1,a))') z,'hyd40.d'
write(allstr(8),'(f4.1,a))') z,'hyd41.d'
write(allstr(9),'(f4.1,a))') z,'hyd42.d'
write(allstr(10),'(f4.1,a))') z,'hyd43.d'
write(allstr(11),'(f4.1,a))') z,'pot.hyd'
endif
777 format('# Hydrogenic functions r**',i2,' * R(n,l,r) z,')
776 format('# n=',i2,' l=',i2,' Z=', f4.2)
c
open(14,file=allstr(11))
write(14,879) Z
879 format('# Hydrogen-like potential for Z=',f5.2)
c
do 10 n=1,4
do 20 ll=1,n
l=ll-1
if(n.eq.1 .and. l.eq.0) write(funcfile,'(A)') allstr(1)
if(n.eq.2 .and. l.eq.0) write(funcfile,'(A)') allstr(2)
if(n.eq.2 .and. l.eq.1) write(funcfile,'(A)') allstr(3)
if(n.eq.3 .and. l.eq.0) write(funcfile,'(A)') allstr(4)
if(n.eq.3 .and. l.eq.1) write(funcfile,'(A)') allstr(5)
if(n.eq.3 .and. l.eq.2) write(funcfile,'(A)') allstr(6)
if(n.eq.4 .and. l.eq.0) write(funcfile,'(A)') allstr(7)
if(n.eq.4 .and. l.eq.1) write(funcfile,'(A)') allstr(8)
if(n.eq.4 .and. l.eq.2) write(funcfile,'(A)') allstr(9)
if(n.eq.4 .and. l.eq.3) write(funcfile,'(A)') allstr(10)
c
open(13,file=funcfile)
c
write(13,777) ifunc
write(13,776) n,l , Z
dr = 1.0/Z*float(n)* 10.0/300.0
do 1 k=1,300
xx=dr*float(k)
yy=Z*sqrt(Z)*hydrad(n,l,xx,Z,ifunc)
if(ifunc.gt.0) yy= xx**ifunc * yy
write(13,*) xx,yy
1 continue
close(13)
20 continue
yy=-Z**2/(float(n)*float(n))
xx=0.0
write(14,*) xx,yy
xx=10.0
write(14,*) xx,yy
write(14,*)
10 continue
c
c hydrogen-like potential
c
dr = 10.0/300.0
c
dr = (alog(10.0)+4.0*alog(Z)+5.0 )/(400.0)
write(14,879) z
do 9 k=1,400
xx=exp( -(4.0*alog(Z)+5.0)+dr*float(k))
yy=-Z*2.0/xx
write(14,*) xx,yy
9 continue
close(14)
do 4433 kkk=1,11
if (z.lt.10.0) then
write(*,8978) allstr(kkk)
else
write(*,8979) allstr(kkk)
end if
4433 continue
8978 format('plot "',A10,'" wi linespoints')
8979 format('plot "',A11,'" wi linespoints')
end
real function hydrad(n,l,r,Z,ifunc)
x=r*Z
if(n.eq.1 .and. l.eq.0) then
ANS=(-2.)/EXP(X)
endif
if(n.eq.2 .and. l.eq.0) then
ANS=(X-2.)/(2.*EXP(X/2.)*SQRT(2.))
endif
if(n.eq.2 .and. l.eq.1) then
ANS=(-X)/(2.*EXP(X/2.)*SQRT(6.))
endif
if(n.eq.3 .and. l.eq.0) then
ANS=(2.*(-2.*X**2+18.*X-27.))/(81.*EXP(X/3.)*SQRT(3.
. ))
endif
if(n.eq.3 .and. l.eq.1) then
ANS=(4.*X*(X-6.))/(81.*EXP(X/3.)*SQRT(6.))
endif
if(n.eq.3 .and. l.eq.2) then
ANS=(-4.*X**2)/(81.*EXP(X/3.)*SQRT(30.))
endif
if(n.eq.4 .and. l.eq.0) then
ANS=(X**3-24.*X**2+144.*X-192.)/(768.*EXP(X/4.))
endif
if(n.eq.4 .and. l.eq.1) then
ANS=(X*(-X**2+20.*X-80.))/(256.*EXP(X/4.)*SQRT(15.))
endif
if(n.eq.4 .and. l.eq.2) then
ANS=(X**2*(X-12.))/(768.*EXP(X/4.)*SQRT(5.))
endif
if(n.eq.4 .and. l.eq.3) then
ANS=(-X**3)/(768.*EXP(X/4.)*SQRT(35.))
endif
hydrad= - ANS
return
end