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Table 3
Thomas-Fermi-Dirac-Amaldi potential scaling factors used in autostructure calculation.
Ion | 1s | 2s | 2p | 3s | 3p | 3d | 4s | 4p | 4d | 4f | |
5s | 5p | 5d | 5f | 5g | 6s | 6p | 6d | 7s | 7p | 7d | |
|
|||||||||||
B+ | 1.39653 | 1.46875 | 1.43661 | 1.19439 | 1.14553 | 1.29613 | 1.19203 | 1.13186 | 1.29804 | 1.45128 | |
1.19330 | 1.12751 | 1.30168 | 1.45196 | 1.57425 | 1.19540 | 1.12564 | 1.30678 | 1.19849 | 1.12477 | 1.31345 | |
C2+ | 1.41290 | 1.49099 | 1.43422 | 1.20193 | 1.13345 | 1.27955 | 1.20122 | 1.12308 | 1.28131 | 1.43825 | |
1.20319 | 1.11983 | 1.28608 | 1.44185 | 1.57035 | 1.20542 | 1.11806 | 1.29188 | 1.20938 | 1.11667 | 1.29554 | |
N3+ | 1.43000 | 1.50845 | 1.43689 | 1.21092 | 1.13140 | 1.27332 | 1.21098 | 1.12277 | 1.27607 | 1.43341 | |
1.21343 | 1.12037 | 1.28215 | 1.43924 | 1.55457 | 1.21659 | 1.11834 | 1.28456 | 1.22184 | 1.11739 | 1.28733 | |
O4+ | 1.44986 | 1.52368 | 1.44080 | 1.22007 | 1.13315 | 1.27102 | 1.22074 | 1.12656 | 1.27530 | 1.44272 | |
1.22378 | 1.12262 | 1.27931 | 1.44190 | 1.54473 | 1.22792 | 1.12112 | 1.28112 | 1.23339 | 1.11910 | 1.28155 | |
F5+ | 1.47345 | 1.53823 | 1.44532 | 1.23007 | 1.13634 | 1.27176 | 1.23140 | 1.12941 | 1.27676 | 1.45042 | |
1.23579 | 1.12547 | 1.27851 | 1.44190 | 1.58397 | 1.23970 | 1.12653 | 1.27874 | 1.24668 | 1.12543 | 1.27878 | |
Ne6+ | 1.50238 | 1.61111 | 1.44991 | 1.24485 | 1.13968 | 1.27306 | 1.24651 | 1.13170 | 1.27109 | 1.45896 | |
1.25340 | 1.12866 | 1.27787 | 1.46014 | 0.17214 | 1.25114 | 1.12823 | 1.27534 | 1.25978 | 1.13215 | 1.29033 | |
Na7+ | 1.53841 | 1.56981 | 1.45496 | 1.25454 | 1.14548 | 1.27582 | 1.25766 | 1.14271 | 1.27844 | 1.45585 | |
1.25613 | 1.13208 | 1.27826 | 1.49334 | 1.69385 | 1.26776 | 1.16973 | 1.28085 | 1.28134 | 1.13540 | 1.30630 | |
Mg8+ | 1.24000 | 1.59549 | 1.46744 | 1.27389 | 1.15697 | 1.27971 | 1.27754 | 1.15316 | 1.28140 | 2.06981 | |
1.28021 | 1.14906 | 1.27926 | 1.50322 | 1.89909 | 1.28950 | 1.14724 | 1.29386 | 1.28025 | 1.15310 | 1.31404 | |
Al9+ | 1.25000 | 1.61669 | 1.47329 | 1.29225 | 1.16420 | 1.28342 | 1.29693 | 1.16044 | 1.28450 | 1.96809 | |
1.29904 | 1.17984 | 1.28149 | 1.52430 | 1.85742 | 1.30930 | 1.15922 | 1.30526 | 1.30787 | 1.16520 | 1.32541 | |
Si10+ | 1.27000 | 1.63993 | 1.48096 | 1.31345 | 1.17269 | 1.28795 | 1.31899 | 1.16446 | 1.28771 | 1.50502 | |
1.32219 | 1.16996 | 1.29524 | 1.52410 | 1.86078 | 1.33213 | 1.17292 | 1.31636 | 1.33749 | 1.17722 | 1.33820 | |
P11+ | 1.29000 | 1.66698 | 1.48863 | 1.33792 | 1.18239 | 1.29330 | 1.34453 | 1.17405 | 1.29175 | 1.52229 | |
1.32916 | 1.17753 | 1.30630 | 1.54557 | 1.86065 | 1.36058 | 1.17768 | 1.32799 | 1.35421 | 1.18970 | 1.34597 | |
S12+ | 1.32000 | 1.69798 | 1.49820 | 1.36619 | 1.19385 | 1.29928 | 1.37362 | 1.18607 | 1.29705 | 1.54291 | |
1.37509 | 1.18607 | 1.31273 | 1.54252 | 1.85894 | 1.40135 | 1.19959 | 1.36643 | 1.38328 | 1.20349 | 1.35765 | |
Cl13+ | 1.34000 | 1.73414 | 1.51315 | 1.39842 | 1.20570 | 1.30618 | 1.40687 | 1.41009 | 1.30748 | 1.56630 | |
1.44054 | 1.20384 | 1.33685 | 1.60963 | 1.85107 | 1.38976 | 1.21181 | 1.35402 | 1.41456 | 1.21988 | 1.36876 | |
Ar14+ | 1.38000 | 1.77486 | 1.51919 | 1.43674 | 1.22246 | 1.31414 | 1.44543 | 1.21480 | 1.32216 | 1.57071 | |
1.44720 | 1.21869 | 1.36034 | 1.59897 | 1.77197 | 1.42508 | 1.22830 | 1.36468 | 1.45103 | 1.23554 | 1.38174 | |
K15+ | 1.42000 | 1.82173 | 1.53065 | 1.47991 | 1.23087 | 1.32155 | 1.48906 | 1.23105 | 1.33713 | 1.59368 | |
1.48858 | 1.24032 | 1.38104 | 1.62515 | 2.10990 | 1.48167 | 1.24772 | 1.37835 | 1.49367 | 1.25383 | 1.39537 | |
Ca16+ | 1.47000 | 1.87511 | 1.54387 | 1.52883 | 1.24783 | 1.32959 | 1.53787 | 1.25088 | 1.35215 | 1.61528 | |
1.53483 | 1.26078 | 1.37265 | 1.65110 | 2.12513 | 1.53123 | 1.26716 | 1.39392 | 1.54165 | 1.27363 | 1.41068 | |
Sc17+ | 1.53000 | 1.93788 | 1.59589 | 1.75156 | 1.26621 | 1.33795 | 1.59469 | 1.27257 | 1.36750 | 1.63587 | |
1.58985 | 1.28349 | 1.39183 | 1.67574 | 2.15051 | 1.58759 | 1.29120 | 1.40896 | 1.59725 | 1.29707 | 1.42576 | |
Ti18+ | 1.60000 | 2.00584 | 1.57603 | 1.65114 | 1.27591 | 1.35026 | 1.65665 | 1.29754 | 1.38595 | 1.65776 | |
1.65154 | 1.30781 | 1.41023 | 1.70303 | 2.19714 | 1.65227 | 1.31642 | 1.42776 | 1.66059 | 1.32362 | 1.44441 | |
V19+ | 1.68000 | 2.08529 | 1.59641 | 1.72470 | 1.36143 | 1.36267 | 1.72709 | 1.32503 | 1.40464 | 1.68328 | |
1.72037 | 1.33534 | 1.42895 | 1.73176 | 2.23923 | 1.68904 | 1.34592 | 1.44648 | 1.73785 | 1.33680 | 1.46407 | |
Cr20+ | 1.79000 | 2.17707 | 1.61657 | 1.80606 | 1.33031 | 1.37636 | 1.80500 | 1.35470 | 1.42787 | 1.70784 | |
1.79735 | 1.36558 | 1.44939 | 1.76243 | 2.23933 | 1.77710 | 1.37646 | 1.46636 | 1.84642 | 1.37410 | 1.48713 | |
Mn21+ | 1.92000 | 2.28271 | 1.63986 | 1.89840 | 1.35947 | 1.39912 | 1.90077 | 1.38817 | 1.43396 | 1.73446 | |
1.88281 | 1.39830 | 1.47158 | 1.79320 | 2.30111 | 1.86717 | 1.39472 | 1.49170 | 1.77849 | 1.39979 | 1.50936 | |
Fe22+ | 2.09000 | 2.40609 | 1.66339 | 2.00074 | 1.39088 | 1.41977 | 1.98780 | 1.42379 | 1.46599 | 1.76469 | |
1.97794 | 1.43521 | 1.49892 | 1.82733 | 2.37774 | 1.96099 | 1.43770 | 1.51479 | 1.92026 | 1.44292 | 1.53397 | |
Co23+ | 2.33000 | 2.55047 | 1.69200 | 2.11526 | 1.42494 | 1.44148 | 2.09657 | 1.46324 | 1.48980 | 1.79380 | |
2.08337 | 1.47543 | 1.52191 | 1.86205 | 2.38007 | 2.06500 | 1.50871 | 1.54053 | 2.03551 | 1.51276 | 1.56093 | |
Ni24+ | 2.66000 | 2.72055 | 1.72256 | 2.24298 | 1.46199 | 1.46465 | 2.21669 | 1.50708 | 1.51495 | 1.82611 | |
2.20013 | 1.55010 | 1.54587 | 1.89817 | 2.45661 | 2.18012 | 1.55583 | 1.56840 | 2.15389 | 1.55986 | 1.58994 | |
Cu25+ | 3.16000 | 2.92546 | 1.76525 | 2.38879 | 1.50301 | 1.48887 | 2.35148 | 1.55565 | 1.54173 | 1.85563 | |
2.33131 | 1.59550 | 1.57404 | 1.93698 | 2.52032 | 2.30874 | 1.60920 | 1.59817 | 2.28313 | 1.61318 | 1.63090 | |
Zn26+ | 4.03000 | 3.21931 | 1.79979 | 2.54953 | 1.54609 | 1.51586 | 2.49745 | 1.60297 | 1.57155 | 1.88843 | |
2.48067 | 1.65834 | 1.60621 | 1.97794 | 2.58467 | 2.44457 | 1.66547 | 1.62761 | 2.41800 | 1.66841 | 1.65212 |
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