RETURN

(1s1s) 1 S       Z= 1       H 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 0.3265 1s 1.0064 0.8906952410952744E+00
2 1s 1.2402 4s 6.0385 0.8898045458541792E-02
3 1s 1.4545 2s 2.2175 -0.4582627015435187E-01
4 2s 7.6486 4s 6.9087 0.5771705162297378E-02
5 1s 1.0626 3s 1.7402 -0.6649039974776223E-01
6 1s 0.9374 2s 2.4083 0.8936345353908888E-01
7 2s 4.5448 3s 6.1538 -0.5059148969421159E-02
8 3s 8.2981 4s 6.6815 -0.7659979073419360E-02
9 4s 9.7638 5s 9.6832 -0.1460740195396250E-02
10 2p 1.7352 2p 1.7352 0.1592206812981913E+00
11 2p 2.8224 3p 4.6979 0.3503995078468809E-01
12 4p 5.6174 4p 5.6174 0.8051884979501281E-02
13 2p 1.9154 4p 5.3312 -0.3308932820668945E-01
14 3p 9.1789 4p 9.4472 0.1986250387642462E-02
15 3d 5.1390 3d 5.1390 -0.1505274957451014E-01
16 4d 8.0100 4d 8.0100 -0.6965236785365046E-02
17 5d 11.2203 5d 11.2203 -0.2226738102738186E-02
18 3d 3.0141 5d 7.1535 -0.3892338203586349E-02
19 4f 8.7868 4f 8.7868 0.5299636684516883E-02
20 5f 11.3896 5f 11.3896 0.2636457913642012E-02
21 5g 13.0240 5g 13.0240 -0.2404877150957241E-02

Energy= -0.52760135 a.u.

Table 2 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
0.52 0.0

Energy= -0.5252 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 ) + b ( r 1 - r 2 ) 2 ] [ 1 + 0.5 r 12 exp(- a r 12 ) ]

λ a b
0.54 0.04 0.04

Energy= -0.5266 a.u.

Table 4 Shull H., Lowdin P.O. // Journ.Chem.Phys 25, 1035, (1956)

j R n1,l1 (α1,r) R n2,l2 (α2,r) g
n1 l1 α1 n2 l2 α2
1 1s 1.0392 1s 0.2832 1.0

Energy= -0.51330288 a.u.

Table 5 Green L.C., Lewis M.N., Mulder M.M., Wyeth C.C., Woll J.W. // Phys. Rev., 93, 273, (1954)

Ψ( r , L,M,S) = N [ exp(- a r 1 ) + γ exp(- c r 2 )] [ exp(- a r 2 ) + γ exp(- c r 1 )] { 1 + α r 12 + β( r 1 - r 2 ) 2 }
α β γ a c
0.3746 0.1043 0.0775 0.8660 0.4330

Energy= -0.5273 a.u.

Table 6 Missia G.// "Negative ions",Moscow, Mir, (1979) p.20

j R n1,l1 (α1,r) R n2,l2 (α2,r) g
n1 l1 α1 n2 l2 α2
1 1s 0.6875 1s 0.6875 1.0

Energy= -0.4765625 a.u.

Table 7 Chandrasekhar S. // Astrophys.J. 100, 176, (1944)

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
0.0312241 0.478 1.075 0.3121

Energy= -0.52592 a.u.

Table 8 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 1.35
a 1 0.337294236
a 2 0.0808833954
a 3 -0.213129754
a 4 0.0200385445
a 5 -0.0287160073
a 6 -0.0154381194
a 7 -9.21896695e-3
a 8 4.32904670e-3
a 9 7.86976451e-4
a 10 -1.77558678e-3
a 11 -7.40841223e-4
a 12 1.63058368e-6
a 13 -2.73106176e-4
a 14 6.27409440e-6
a 15 -6.38293145e-5
a 16 1.84423133e-4
a 17 1.55857013e-5
a 18 6.48350632e-4
a 19 6.88602440e-4
N 0.0716409212

Energy= -0.5276446692 a.u.

RETURN