RETURN

(1s1s) 1 S       Z= 4       Be 2+

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 3.0462 1s 4.2756 0.7311344033533003E+00
2 1s 4.3147 4s 29.5589 0.4233268195415608E-02
3 1s 6.1610 2s 8.7314 -0.2428097353536311E-01
4 2s 33.6701 4s 33.2781 0.2222648586194033E-02
5 1s 5.4443 3s 10.4077 -0.1374532678304205E-01
6 1s 4.3454 2s 11.5779 0.3117557095898472E-01
7 2s 23.5640 3s 15.7787 -0.2463922939300622E-02
8 3s 34.2939 4s 28.9063 -0.4160154755080278E-02
9 4s 40.5363 5s 41.6952 -0.1286796549901809E-02
10 2p 9.9029 2p 9.9029 0.3680530586480514E-01
11 2p 20.6403 3p 20.9402 0.6126906300100657E-02
12 4p 29.9491 4p 29.9491 0.2529725035602419E-02
13 2p 11.8033 4p 26.8420 -0.4013927874409618E-02
14 3p 52.1254 4p 50.7207 0.6287755868838382E-03
15 3d 26.1122 3d 26.1122 -0.5922188667161732E-02
16 4d 40.1011 4d 40.1011 -0.2734442668541343E-02
17 5d 55.4245 5d 55.4245 -0.9870314445269554E-03
18 3d 13.3837 5d 36.4937 -0.9870314445269554E-03
19 4f 43.6333 4f 43.6333 0.2266516650395231E-02
20 5f 56.9726 5f 56.9726 0.1125946981164082E-02
21 5g 63.8382 5g 63.8382 -0.1060144884862285E-02

Energy= -13.65485194 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 3.43071 0.89855
2 1s 5.63150 0.09068
3 1s 7.35143 0.02158

Energy= -13.6112970 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
0.90 0.45

Energy= -13.6535 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
0.90 0.45 0.09

Energy= -13.6541 a.u.

RETURN