RETURN

(1s1s) 1 S       Z= 5       B 3+

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 3.9343 1s 5.3819 0.7281333330979730E+00
2 1s 5.6207 4s 37.4070 0.3305725332264798E-02
3 1s 8.2850 2s 10.9955 -0.1496313999516334E-01
4 2s 42.7474 4s 42.0498 0.1776645332759054E-02
5 1s 6.7749 3s 13.3415 -0.1341949732899564E-01
6 1s 5.6057 2s 14.9242 0.2233184932611483E-01
7 2s 29.3060 3s 19.9813 -0.2024210666012365E-02
8 3s 43.3140 4s 36.4524 -0.3356694665581656E-02
9 4s 51.0528 5s 52.4514 -0.1070355999654020E-02
10 2p 12.5444 2p 12.5444 0.2981705999036199E-01
11 2p 25.6429 3p 27.1889 0.5089651998354831E-02
12 4p 38.1440 4p 38.1440 0.1980522666026487E-02
13 2p 15.2215 4p 34.0528 -0.3575134665511048E-02
14 3p 66.2450 4p 64.5609 0.5024119998376013E-03
15 3d 33.0847 3d 33.0847 -0.4812961331777602E-02
16 4d 50.7882 4d 50.7882 -0.2220806665948818E-02
17 5d 70.1528 5d 70.1528 -0.8082279997387501E-03
18 3d 16.8624 5d 46.2282 -0.7863839997458109E-03
19 4f 55.2180 4f 55.2180 0.1856739999399831E-02
20 5f 72.1285 5f 72.1285 0.9247293330344258E-03
21 5g 80.7251 5g 80.7251 -0.8664786663865879E-03

Energy= -22.03020326 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 4.44422 0.93036
2 1s 7.90274 0.07786
3 1s 11.31380 0.00013

Energy= -21.986232 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
1.1 0.65

Energy= -22.0286 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
1.00 0.6 0.15

Energy= -22.0290 a.u.

Table 5 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 10.40
a 1 0.434777444
a 2 0.518229132
a 3 0.253041238
a 4 0.194770903
a 5 -0.507177819
a 6 0.240745183
a 7 -0.987602064
a 8 0.398635198
a 9 0.969216519
a 10 0.252556490
a 11 -0.0699871341
a 12 0.0665530976
a 13 -0.214618312
a 14 0.0444107350
a 15 -0.388582259
a 16 0.0352818232
a 17 0.0270144827
a 18 -0.147231569
a 19 -0.0289713347
N 31.5411342

Energy= -22.03095928 a.u.

RETURN