###############################<42.74.qr.info.txt>############################## # # W W X X X X X X III III III # W W X X X X X X I I I # W W X X X X X X I I I # W W X X X I I I # W W W X X X X X X I I I # W W W X X X X X X I I I # W W W X X X X X X I I I # W W X X X X X X III III III # #=============================================================================== # # Z = 74, Ne = 42, Ion = 32 # # W XXXIII Tungsten # # 2022-02-28 # # Author: R. Karpuskiene # #=============================================================================== # # Approach used: QR+CI. # Energy operator: Breit-Pauli. # References: [05-3,08-3]. # #=============================================================================== # # INVESTIGATED CONFIGURATIONS: # ground + excited = EVEN ( 1) # 4s2 4p6 4d6 # excited = ODD ( 2) # 4s2 4p5 4d7 # 4s2 4p6 4d5 4f1 # # The number of the investigated levels: # EVEN - 34 ODD - 526 # # Closed inner shells [Ni] not listed. # All listed shells were active in the CI approach. # #=============================================================================== # # INFORMATION ABOUT MULTICONFIGURATION APPROACH USED # # RADIAL ORBITAL BASE: # The number of radial orbitals = 45 # QR - quasirelativistic radial orbital [05-4,06-5,07-3] # TRO - transformed radial orbital # for virtual excitations [99-4,08-3] # 1s QR 2s QR 2p QR 3s QR 3p QR # 3d QR 4s QR 4p QR 4d QR 4f QR # 5s QR 5p QR 5d QR 5f QR 5g QR # 6s TRO 6p TRO 6d TRO 6f TRO 6g TRO # 6h TRO 7s TRO 7p TRO 7d TRO 7f TRO # 7g TRO 7h TRO 7i TRO 8s TRO 8p TRO # 8d TRO 8f TRO 8g TRO 8h TRO 8i TRO # 8k TRO 9s TRO 9p TRO 9d TRO 9f TRO # 9g TRO 9h TRO 9i TRO 9k TRO 9l TRO # #=============================================================================== # # ADMIXED CONFIGURATION SELECTION REZULTS # # Common passive shells: 1s 2s 2p 3s 3p 3d # # One-electron virtual excitations {nl->n`l`} were included. # They include Brillouin`s {nl->n`l} excitations. # Paired virtual excitations {nl(2)->n`l`(2)} were included. # Non-paired virtual excitations {nl(2)->n`l` n``l``; nl nl->n`l`(2);...} # were included. # Admixed configurations were selected by their averaged weights Wi. # # # Averaged energy corrections Ei and weights Vi of admixed configurations # were calculated in the second order of perturbation theory [01-2]. # # Averaged weights of admixed configurations were normalized: # Wi=Vi/(1+SUM(Vi)). # #------------------------------------------------------------------------------- # Description of Data #------------------------------------------------------------------------------- # Units Label Explanation #------------------------------------------------------------------------------- # --- NT Total possible number of admixed configurations # a.u. ET Sum of Ei of all admixed configurations # --- WT Sum of Wi of all admixed configurations # --- NS Number of selected admixed configurations # --- w Admixed configurations selection criterion value # a.u. ES Sum of Ei of selected configurations # --- WS Sum of Wi of selected configurations # % E% 100%*ES/ET # % W% 100%*WS/WT # --- Configuration Adjusted configuration #------------------------------------------------------------------------------- # NT ET WT NS w ES WS E% W% Configuration #------------------------------------------------------------------------------- # 1352 7.52E-01 2.50E-03 151 3.5E-06 6.79E-01 2.46E-03 90% 98% 4p6 4d6 #------------------------------------------------------------------------------- # 1383 2.96E+00 4.65E-01 167 3.5E-06 2.89E+00 4.65E-01 98% 100% 4p5 4d7 # 2180 1.42E+00 2.82E-01 183 3.5E-06 1.34E+00 2.82E-01 94% 100% 4p6 4d5 4f1 #------------------------------------------------------------------------------- # # The final numbers of selected # admixed configurations [01-2,01-4,05-1,06-2] # EVEN - 151 ODD - 315 # # The total number of terms # (configuration state functions) # of all mixed configurations: # EVEN - 866268 ODD - 9601318 # # The used reduced [02-1,04-1] number of terms # (configuration state functions) # of all mixed configurations: # EVEN - 180807 ODD - 276617 # # For byte-by-byte description of Energy Level Data see # <42.74.qr.elev.txt> # #=============================================================================== # # Explanation of the Radiative Transition Data # # Electron transitions were calculated # for such types of transitions: # EVEN -> EVEN M1 E2 # ODD -> EVEN E1 M2 E3 # ODD -> ODD M1 E2 # # Number of all calculated transitions 167975 # # File <42.74.qr.tran.txt> contains selected transitions # with emission probabilities A > Amax * 1.0E-03 # # Number of selected transitions 6512 # # Transitions from each initial level were ordered # in descending probabilities order. # # For byte-by-byte description of Radiative Transition Data see # <42.74.qr.tran.txt> # #=============================================================================== # # Excitations by electron impact were not calculated. # # #=============================================================================== # # COMMENTS: # ###############################<42.74.qr.info.txt>##############################