RETURN

(1s2s) 1 S       Z= 3       Li 1+

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 1s 2.9975 2s 2.1241 0.9758265716650799E+00
2 1s 1.9132 2s 6.9860 0.4043825312980091E-01
3 1s 3.1350 4s 21.5194 0.2810706909288874E-02
4 2s 24.6199 4s 24.3412 0.1046713721774196E-02
5 1s 4.0278 3s 7.4513 -0.1366690280124326E-01
6 2s 17.4214 3s 11.5207 -0.2100940564325715E-02
7 3s 25.1567 4s 21.1630 -0.2288874371281298E-02
8 4s 29.7353 5s 30.6499 -0.3694999013665790E-03
9 2p 7.2459 2p 7.2459 0.9569375869777500E-02
10 2p 15.5972 3p 14.6395 0.2282780509876812E-02
11 4p 21.7096 4p 21.7096 0.6118141614580787E-04
12 2p 8.1020 4p 19.7161 -0.5299481490947968E-02
13 3p 37.9856 4p 36.8482 0.5531010137035331E-03
14 3d 19.1417 3d 19.1417 -0.1858958645322272E-02
15 4d 29.4220 4d 29.4220 0.4608388641283616E-03
16 5d 40.7121 5d 40.7121 -0.1289036646158071E-03
17 3d 9.9077 5d 26.7671 0.2296072301538564E-02
18 4f 32.0497 4f 32.0497 0.6649098417185716E-03
19 5f 41.8215 5f 41.8215 0.1330262322210660E-03
20 5g 46.9528 5g 46.9528 -0.2977387808438037E-03
21 1s 2.1439 1s 3.1818 -0.6157585531217077E-01
22 1s 4.5258 2s 6.3462 0.2803548692363136E-02
23 1s 3.1609 2s 8.4215 -0.3454405483012780E-02

Energy= -5.03907788 a.u.

RETURN