number of degenrate states;

"1eVis 1,60219 10^-19 J is 96.458 kJ mol-1  is 8065.5 cm-1;;;;;;";

" k is  1.38066 10^-23 J K-1;;;;";

"R is k Na  is  8.31441 K-1 mol-1";

Clear[k,R,m]

s

K

k=1.38066  10^-23  kg m^2  s^-2     K^-1

m

hh=6.626 10^-34   kg m^2  s^-1

cc=2.99799 10^8  m/s

"This is conversion factor   in J *m  or if energy is in m-1,it is J";

hh  cc

"so if you have cm-1 \!\(\*FractionBox[\(1.9864681740000004`*^-23\\ kg\\ \*SuperscriptBox[\(m\), \(2\)]\\ \\ \\ cm\), SuperscriptBox[\(s\), \(2\)]]\) "

"convert energy kT <--> hcB  from  J<-->cm-1  "

T=298 K

k T/(hh cc)

or 207 cm-1

k T/((1.9864681740000004`*^-23 kg (m^2)   cm)/(s^2))

"SO CONVERSION FACTOR /K is  "

T=1  K

k T/((1.9864681740000004`*^-23 kg (m^2)   cm)/(s^2))

1/.695033

298 K *0.6950

"END OF SI UNITS";

ROTATIONAL BOLTZMANN

g=Table[2  j +1,{j,0,15}]

use  B== hcB in cm-1 and T==kT/hc in cm-1;

for T=298.15 stand room temp T=207.22cm-1;

298.15 * .695033

tt=Table[ i*10*.695033,{i,0,20}]

"HCl B=10 check;";

B=10.59

bt[j_]:=2 j

bt[2]

Bol[j_,t_]:=(2  j +1) *Exp[-B  j ( j+1) / (t*0.6950)]

Bol[2.,290]

Plot[Evaluate[Table[Bol[j,t],{j,1,12}]],{t,290,300}]

"note energy of j=0 is zero, start with 1";

Plot[Evaluate[Table[Bol[j,t],{j,1,12}]],{t,1,300},AxesLabel->Automatic]

Tabley=Table[Bol[j,300.],{j,1,20}]

ListPlot[Tabley,PlotJoined->True]

Plot[Evaluate[Table[Bol[j,t],{t,1,300,50}]],{j,1,20},AxesLabel->Automatic,PlotRange->Full,AxesOrigin->{0,0}]

Plot[Evaluate[Table[Bol[j,t]/Bol[1,t],{t,1,300,50}]],{j,1,20},AxesLabel->Automatic,AxesOrigin->{0,0},PlotRange->All]

"IF MOLECULE SURVIVES AND IS NOT coupled with other degries";

Plot[Evaluate[Table[Bol[j,t]/Bol[1,t],{t,1,5000,50}]],{j,1,20},AxesLabel->Automatic,AxesOrigin->{0,0},PlotRange->All]