RETURN

(2p2p) 1 D       Z=22       Ti 20+

Table 1. Novikov N.V. // Wave Function Value Database http://cdfe.sinp.msu.ru/services/wftables/

j R n1,l1 (α1,r) R n2,l2 (α2,r) g
n1 l1 α1 n2 l2 α2
1 2p 20.5529 2p 22.7506 0.7164413544179556E+00
2 2p 38.7719 4p 60.4611 -0.6383492467863985E-02
3 3p 54.2293 3p 54.2293 -0.2263954679960740E-02
4 4p 68.2479 3p 45.2025 0.3947591862842935E-02
5 4p 59.1734 2p 28.5156 0.1045287936095797E-01
6 2s 24.8182 3d 36.8947 0.2304415831688403E-01
7 1s 22.0000 3d 36.8947 0.1671759662093710E-02
8 3s 38.0501 4d 63.0647 0.3179187281462029E-02
9 1s 22.0000 4d 63.0647 0.3532014293410627E-03
10 2s 10.6490 5d 53.5944 0.2196680450717793E-03
11 1s 22.0000 5d 53.5944 -0.4536640537706418E-04
12 3s 75.5759 5d 99.4947 0.3664522502598324E-03
13 1s 22.0000 5d 99.4947 -0.2794614778107696E-04
14 4s 56.3397 4d 91.4567 0.9752422937332678E-03
15 1s 22.0000 4d 91.4567 0.4146866623631633E-04
16 3s 8.1747 3d 39.6226 -0.1080877785742521E-03
17 1s 22.0000 3d 39.6226 0.1157510496329380E-04
18 3d 42.9454 3d 42.9454 0.7372181536960764E-02
19 4d 62.4148 4d 62.4148 0.1762445731868171E-02
20 4d 98.1248 5d 88.7460 0.5015089480925690E-03
21 2p 27.6593 4f 65.9380 0.1048153701513469E-01
22 3p 35.6587 5f 94.4159 0.1182128234789627E-02
23 3d 44.1536 5g 105.5963 -0.1884240762119223E-02
24 2p 27.8249 2p 27.8249 -0.9741733187267216E-02
25 2p 36.4606 4f 63.8413 -0.4322330633105764E-02
26 1s 22.0000 3d 20.9959 0.1625656774220651E-02
27 1s 22.0000 4d 20.9969 0.1194625821787882E-02
28 1s 22.0000 5d 20.9973 0.8914996582515874E-03

Energy= -117.00883985 a.u.

RETURN