###############################<39.74.qr.info.txt>############################## # # W W X X X X X X V V III # W W X X X X X X V V I # W W X X X X X X V V I # W W X X X V V I # W W W X X X X X X V V I # W W W X X X X X X V V I # W W W X X X X X X V V I # W W X X X X X X V III # #=============================================================================== # # Z = 74, Ne = 39, Ion = 35 # # W XXXVI Tungsten # # 2014-09-08 # # Author: P. Bogdanovich # #=============================================================================== # # Approach used: QR+CI. # Energy operator: Breit-Pauli. # References: [05-3,08-3]. # #=============================================================================== # # INVESTIGATED CONFIGURATIONS: # ground + excited = EVEN ( 1) # 4s2 4p6 4d3 # excited = ODD ( 2) # 4s2 4p5 4d4 # 4s2 4p6 4d2 4f1 # # The number of the investigated levels: # EVEN - 19 ODD - 261 # # 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 = 62 # 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 TRO 5p TRO 5d TRO 5f TRO 5g TRO # 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 # 10d TRO 10f TRO 10g TRO 10h TRO 10i TRO # 10k TRO 10l TRO 10m TRO 11d TRO 11f TRO # 11g TRO 11h TRO 11i TRO 11k TRO 11l TRO # 11m TRO 11n 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 #------------------------------------------------------------------------------- # 2546 6.33E-01 2.54E-03 425 1.7E-07 6.20E-01 2.54E-03 98% 100% 4p6 4d3 #------------------------------------------------------------------------------- # 2583 1.06E+00 1.06E-01 456 1.7E-07 1.04E+00 1.06E-01 99% 100% 4p5 4d4 # 4233 1.40E+00 1.65E-01 524 1.7E-07 1.38E+00 1.65E-01 99% 100% 4p6 4d2 4f1 #------------------------------------------------------------------------------- # # The final numbers of selected # admixed configurations [01-2,01-4,05-1,06-2] # EVEN - 425 ODD - 894 # # The total number of terms # (configuration state functions) # of all mixed configurations: # EVEN - 1787251 ODD - 13244932 # # The used reduced [02-1,04-1] number of terms # (configuration state functions) # of all mixed configurations: # EVEN - 115367 ODD - 259987 # # For byte-by-byte description of Energy Level Data see # <39.74.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 48884 # # File <39.74.qr.tran.txt> contains selected transitions # with emission probabilities A > Amax * 1.0E-02 # # Number of selected transitions 1570 # # Transitions from each initial level were ordered # in descending probabilities order. # # For byte-by-byte description of Radiative Transition Data see # <39.74.qr.tran.txt> # #=============================================================================== # # Explanation of Electron-impact Excitation Data # # Excitations by electron impact # (plane-wave Born approximation) # were calculated for 279 lowest levels. # # Total number excitations 38896: 33897 even; 4999 odd. # # Order Number of excitations # 0 27 EVEN - EVEN # 2 131 EVEN - EVEN # 4 138 EVEN - EVEN # 1 2439 EVEN - ODD # 3 4069 EVEN - ODD # 5 3424 EVEN - ODD # 0 5395 ODD - ODD # 2 23087 ODD - ODD # 4 27508 ODD - ODD # 6 20259 ODD - ODD # # Ionization energy according NIST database is 1512.400 eV. # # Excitation calculated for 10 electron energies # Impacting electron energies were specified by the excitation energies # Eel(eV) = Ki * Eex(eV) # Values of Ki coefficients: # 1.100E+00 1.200E+00 1.550E+00 2.000E+00 3.000E+00 # 5.500E+00 1.000E+01 2.000E+01 5.500E+01 1.000E+02 # # For byte-by-byte description of Electron-impact Excitation Data see # <39.74.qr.exxs.txt> - Cross Section Table # <39.74.qr.excs.txt> - Collision Strengths Table # <39.74.qr.info.txt> - Effective Collision Strengths Table # #=============================================================================== # # COMMENTS: # ###############################<39.74.qr.info.txt>##############################