(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.