RETURN

(1s1s) 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 2.1439 1s 3.1818 0.7384159657747428E+00
2 1s 3.1350 4s 21.5194 0.5730107894412004E-02
3 1s 4.5258 2s 6.3462 -0.3362007892172404E-01
4 2s 24.6199 4s 24.3412 0.2894590585836992E-02
5 1s 4.0278 3s 7.4513 -0.1631899284362182E-01
6 1s 3.1609 2s 8.4215 0.4142513567996307E-01
7 2s 17.4214 3s 11.5207 -0.3241646089751121E-02
8 3s 25.1567 4s 21.1630 -0.5434741508102107E-02
9 4s 29.7353 5s 30.6499 -0.1654051763335424E-02
10 2p 7.2459 2p 7.2459 0.4813733680885548E-01
11 2p 15.5972 3p 14.6395 0.7731215161661557E-02
12 4p 21.7096 4p 21.7096 0.3596085753322998E-02
13 2p 8.1020 4p 19.7161 -0.4437879954306204E-02
14 3p 37.9856 4p 36.8482 0.8565625202987016E-03
15 3d 19.1417 3d 19.1417 -0.7664757724741830E-02
16 4d 29.4220 4d 29.4220 -0.3537012476061018E-02
17 5d 40.7121 5d 40.7121 -0.1262691301474810E-02
18 3d 9.9077 5d 26.7671 -0.1321764578736790E-02
19 4f 32.0497 4f 32.0497 0.2909358905152486E-02
20 5f 41.8215 5f 41.8215 0.1447295292918496E-02
21 5g 46.9528 5g 46.9528 -0.1358685377025527E-02

Energy= -7.27928349 a.u.

Table 2. Clementi E., Roetti C. // At. Data Nucl. Data Tables 14, 177, (1974)

Ψ( r 1 , r 2 ) = F( r 1 ) F( r 2 ) ;       F( r ) = Σ j   C j   φ 1s ( α j , r )

j R n,l (α,r) C
n l α
1 1s 2.45055 0.89066
2 1s 4.57259 0.12328
3 1s 6.67032 0.00088

Energy= -7.2364121 a.u.

Table 3 Sech C.L. // J.Phys B30, L47, (1997)

Ψ( r , L,M,S) = N exp(-Z r 1 ) exp(-Z r 2 ) [ cosh( λ r 1 ) + cosh( λ r 2 ) ] [ 1 + 0.5 r 12 exp(- a r 12 ) ]

λ a
0.84 0.36

Energy= -7.2781 a.u.

Table 4 Sech C.L. // J.Phys B30, L47, (1997)

Ψ( r , L,M,S) = N exp(-Z r 1 ) exp(-Z r 2 ) [ cosh( λ r 1 ) + cosh( λ r 2 ) + b ( r 1 - r 2 ) 2 ] [ 1 + 0.5 r 12 exp(- a r 12 ) ]

λ a b
0.82 0.34 0.08

Energy= -7.2788 a.u.

Table 5 Green L.C., Lewis M.N., M.M. Mulder et all // Phys. Rev. 93, 273, (1954)

Ψ( r , L,M,S) = N [ exp(-Z 1 r 1 -Z 2 r 2 ) + exp(-Z 2 r 1 -Z 1 r 2 ) ] [ 1 + α r 12 ]

N Z 1 Z 2 α
2.88811 2.362 3.299 0.2770

Energy= -7.277175 a.u.

Table 6 Hart J.F., Herzberg G. // Phys. Rev. 106, 79, (1957)

Ψ( r , L,M,S) = N exp ( -0.5 ks) [ 1 + a 1 u + a 2 t 2 + a 3 s + a 4 s 2 + a 5 u 2 + a 6 su + a 7 t 2 u + a 8 u 3 + a 9 t 2 u 2 + a 10 t 2 s + a 11 s 3 + a 12 t 2 u 4 + a 13 u 4 + a 14 u 5 + a 15 t 2 u 3 + a 16 t 2 s 2 + a 17 s 4 + a 18 t 2 su + a 19 t 4 ]

s= r 1 + r 2     t= r 1 - r 2     u= r 12

k 6.20
a 1 0.427894286
a 2 0.320937389
a 3 0.153723864
a 4 0.102493831
a 5 -0.291352815
a 6 0.178913186
a 7 -0.338922840
a 8 0.132405535
a 9 0.192820330
a 10 0.0934891553
a 11 -0.0220645541
a 12 5.22020228e-3
a 13 -0.0417113554
a 14 5.23645743e-3
a 15 -0.0484975747
a 16 0.0184000974
a 17 6.95516177e-3
a 18 -0.0267015277
a 19 -3.86042500e-3
N 5.77057414

Energy= -7.279905382 a.u.

RETURN