A supplementary material to the paper

Experimental and theoretical study of the B(2)2Sigma+ <- X(1)2Sigma+ system 
in the KSr molecule 

Authors: Jacek Szczepkowski, Anna Grochola, Pawel Kowalczyk, Olivier Dulieu, 
         Romain Guérout, Piotr S. ¯uchowski and Wlodzimierz Jastrzebski

Corresponding author: e-mail address jszczep@ifpan.edu.pl

+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

Table 1.  Experimental IPA curves of the X electronic state. 
          The three IPA potentials for the state employ the ground state 
          Re values predicted by the FCI+ECP+CPP, RCCSD(T) and MRCI 
          calculations (reported by the Graz group in Ref. 37).


               FCI+ECP+CPP                                                            
      =============================           	          
           R                E                              
      =============================                      
	3.91392		377.63365			
	3.94360		330.95122			
	3.97603		283.13995			
	4.01213		234.19984			
	4.05334		184.13089			
	4.10229		132.93311			
	4.16476		 80.60649			
	4.26072		 27.15104			
	4.39441		  0.10917			
	4.56455		 27.15104			
	4.69565		 80.60649			
	4.79382		132.93311			
	4.87905		184.13089			
	4.95713		234.19984			
	5.03073		283.13995			
	5.10132		330.95122			
	5.16984		377.63365			
						

                RCCSD(T)           
      =============================
           R                E      
      =============================
	3.93030		511.66375	      
	3.95258		468.23446	      
	3.97627		423.68925	      
	4.00170		378.02813	      
	4.02930		331.25110	      
	4.05969		283.35816	      
	4.09378		234.34930	      
	4.13303		184.22452	      
	4.18007		132.98384	      
	4.24066		 80.62724	      
	4.33477		 27.15472	      
	4.46757		  0.10917	      
	4.63857		 27.15472	      
	4.77144		 80.62724	      
	4.87139		132.98384	      
	4.95841		184.22452	      
	5.03829		234.34930	      
	5.11370		283.35816					        
	5.18612		331.25110					        
	5.25649		378.02813					        
	5.32545		423.68925					        
	5.39349		468.23446					        
	5.46096		511.66375					        
      
      
                  MRCI                      
      =============================  
           R                E          
      ============================= 
	3.91819		377.78970   
	3.94737		331.39259   
	3.97923		283.77245   
	4.01469		234.92928   
	4.05521		184.86308   
	4.10339		133.57385   
	4.16498		 81.06158   
	4.25987		 27.32629   
	4.39269		  0.10991   
	4.56276		 27.32629   
	4.69459		 81.06158   
	4.79374		133.57385   
	4.88013		184.86308   
	4.95952		234.92928   
	5.03457		283.77245   
	5.10675		331.39259   
	5.17702		377.78970        
      


Table 2.  Experimental IPA curves of the B electronic state. 
          The three IPA potentials for the state employ the ground state 
          Re values predicted by the FCI+ECP+CPP, RCCSD(T) and MRCI 
          calculations (reported by the Graz group in Ref. 37).


               FCI+ECP+CPP                                                           
      ==============================           	          
           R                E                              
      ==============================                      
	3.76201		9728.84869			
	3.78570		9654.54658			
	3.81086		9579.92001			
	3.83778		9504.96898			
	3.86683		9429.69348			
	3.89852		9354.09352			
	3.93365		9278.16909			
	3.97346		9201.92021			
	4.02019		9125.34686			
	4.07877		9048.44904			
	4.16610		8971.22677			
	4.28210		8932.64905			
	4.42013		8971.22677			
	4.51953		9048.44904			
	4.59021		9125.34686			
	4.64910		9201.92021			
	4.70111		9278.16909			
	4.74849		9354.09352			
	4.79249		9429.69348			
	4.83389		9504.96898			
	4.87320		9579.92001			
	4.91082		9654.54658			
	4.94701		9728.84869			


                RCCSD(T)           
      ==============================
           R                E      
      ==============================
	3.86222		9728.96229	
	3.88455		9654.65511	
	3.90835		9580.02301	
	3.93391		9505.06600	
	3.96160		9429.78407	
	3.99195		9354.17722	
	4.02573		9278.24546	
	4.06419		9201.98878	
	4.10959		9125.40718	
	4.16682		9048.50067	
	4.25282		8971.26924	
	4.36814		8932.68679	
	4.50683		8971.26924	
	4.60755		9048.50067	
	4.67957		9125.40718	
	4.73980		9201.98878	
	4.79315		9278.24546	
	4.84188		9354.17722	
	4.88722		9429.78407	
	4.92997		9505.06600	
	4.97065		9580.02301	
	5.00962		9654.65511	
	5.04717		9728.96229	
  
  
                  MRCI                 
      ==============================  
           R                E          
      ==============================  
	3.83746		9729.68977 
	3.86031		9655.45435 
	3.88463		9580.88255 
	3.91071		9505.97437 
	3.93890		9430.72983 
	3.96975		9355.14890 
	4.00403		9279.23161 
	4.04298		9202.97794 
	4.08886		9126.38790 
	4.14657		9049.46148 
	4.23303		8972.19869 
	4.34856		8933.59635 
	4.48698		8972.19869 
	4.58722		9049.46148 
	4.65878		9126.38790 
	4.71855		9202.97794 
	4.77145		9279.23161 
	4.81974		9355.14890 
	4.86464		9430.72983 
	4.90696		9505.97437 
	4.94720		9580.88255 
	4.98575		9655.45435 
	5.02287		9729.68977