###############################<08.14.qr.info.txt>############################## # # SSS i V V III III # S S V V I I # S iii V V I I # SS i V V I I # S i V V I I # S i V V I I # S S i V V I I # SSS iii V III III # #=============================================================================== # # Z = 14, Ne = 8, Ion = 6 # # Si VII Silicon # # 2015-02-26 # # Author: P. Bogdanovich # #=============================================================================== # # Approach used: QR+CI. # Energy operator: Breit-Pauli. # References: [05-3,08-3]. # #=============================================================================== # # INVESTIGATED CONFIGURATIONS: # ground + excited = EVEN ( 5) # 1s2 2s2 2p4 # 1s2 2p6 # 1s2 2s2 2p3 3p1 # 1s2 2s1 2p4 3s1 # 1s2 2s1 2p4 3d1 # excited = ODD ( 4) # 1s2 2s1 2p5 # 1s2 2s2 2p3 3s1 # 1s2 2s2 2p3 3d1 # 1s2 2s1 2p4 3p1 # # The number of the investigated levels: # EVEN - 106 ODD - 94 # # Closed inner shells [ } not listed. # All listed shells were active in the CI approach. # #=============================================================================== # # INFORMATION ABOUT MULTICONFIGURATION APPROACH USED # # RADIAL ORBITAL BASE: # The number of radial orbitals = 43 # 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 TRO 4p TRO 4d TRO 4f TRO # 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 8p TRO 8d TRO # 8f TRO 8g TRO 8h TRO 8i TRO 8k TRO # 9p TRO 9d TRO 9f TRO 9g TRO 9h TRO # 9i TRO 9k TRO 9l TRO # #=============================================================================== # # ADMIXED CONFIGURATION SELECTION REZULTS # # Common passive shells: # # 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 #------------------------------------------------------------------------------- # 1147 3.38E-01 1.19E-03 820 1.0E-08 3.38E-01 1.19E-03 100% 100% 2s2 2p4 # 679 6.70E-01 5.99E-03 489 1.0E-08 6.70E-01 5.99E-03 100% 100% 2p6 # 1834 3.75E-01 3.14E-03 1094 1.0E-08 3.74E-01 3.14E-03 100% 100% 2s2 2p3 3p1 # 1515 3.85E-01 3.52E-03 963 1.0E-08 3.84E-01 3.52E-03 100% 100% 2s1 2p4 3s1 # 1923 3.60E-01 1.86E-03 949 1.0E-08 3.59E-01 1.86E-03 100% 100% 2s1 2p4 3d1 #------------------------------------------------------------------------------- # 1035 3.93E-01 1.57E-03 729 1.0E-08 3.93E-01 1.57E-03 100% 100% 2s1 2p5 # 1612 3.67E-01 2.98E-03 1016 1.0E-08 3.67E-01 2.98E-03 100% 100% 2s2 2p3 3s1 # 2013 3.59E-01 2.61E-03 1008 1.0E-08 3.59E-01 2.61E-03 100% 100% 2s2 2p3 3d1 # 1743 3.68E-01 2.42E-03 1044 1.0E-08 3.67E-01 2.42E-03 100% 100% 2s1 2p4 3p1 #------------------------------------------------------------------------------- # # The final numbers of selected # admixed configurations [01-2,01-4,05-1,06-2] # EVEN - 3293 ODD - 3063 # # The total number of terms # (configuration state functions) # of all mixed configurations: # EVEN - 2069228 ODD - 1893160 # # The used reduced [02-1,04-1] number of terms # (configuration state functions) # of all mixed configurations: # EVEN - 224351 ODD - 198397 # # For byte-by-byte description of Energy Level Data see # <08.14.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 34366 # # File <08.14.qr.tran.txt> contains selected transitions # with emission probabilities A > Amax * 1.0E-02 # # Number of selected transitions 1247 # # Transitions from each initial level were ordered # in descending probabilities order. # # For byte-by-byte description of Radiative Transition Data see # <08.14.qr.tran.txt> # #=============================================================================== # # Explanation of Electron-impact Excitation Data # # Excitations by electron impact # (plane-wave Born approximation) # were calculated for 199 lowest levels. # # Total number excitations 17260: 8443 even; 8817 odd. # # Order Number of excitations # 0 1226 EVEN - EVEN # 2 4221 EVEN - EVEN # 4 2881 EVEN - EVEN # 1 6060 EVEN - ODD # 3 7029 EVEN - ODD # 0 1007 ODD - ODD # 2 3397 ODD - ODD # 4 2187 ODD - ODD # # Ionization energy according NIST database is 246.320 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 # <08.14.qr.exxs.txt> - Cross Section Table # <08.14.qr.excs.txt> - Collision Strengths Table # <08.14.qr.ecst.txt> - Effective Collision Strengths Table # #=============================================================================== # # COMMENTS: # ###############################<08.14.qr.info.txt>##############################