(1s 2 2s 2 2p 2 3p 1 ) 4 D N 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4231.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | .606494 | -.70051199 |
| 2 | 2p | 1.682032 | .16604874 |
| 3 | 2p | 4.687081 | .01999997 |
| 4 | 4p | .509068 | -.35580211 |
| 5 | 5p | 2.895854 | -.02161243 |
| 6 | 4p | 5.410249 | .00802203 |
| ORB.ENERGY,a.u. | -.099046 | ||
| NORM | 1.000000 | < R > | 6.799456 | < R2 > | 53.195853 | < 1/R > | .182501 | < 1/R**2 > | .064303 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.781258 | .70179541 |
| 2 | 2p | 2.943431 | .28105648 |
| 3 | 2p | 6.992063 | .01723090 |
| 4 | 3p | 1.435126 | .04555248 |
| 5 | 2p | 3.501647 | .01334255 |
| 6 | 5p | 8.483865 | .00232394 |
| 7 | 5p | 4.888314 | -.00715155 |
| 8 | 5p | .676219 | .00097754 |
| ORB.ENERGY,a.u. | -.843090 | ||
| NORM | 1.000000 | < R > | 1.245414 | < R2 > | 1.939930 | < 1/R > | 1.055153 | < 1/R**2 > | 1.578656 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.858097 | .28877281 |
| 2 | 2s | 2.493164 | -.83374690 |
| 3 | 3s | 1.950847 | -.25948078 |
| 4 | 4s | 7.781632 | .02404643 |
| 5 | 3s | 9.269837 | .01174462 |
| 6 | 5s | 3.079055 | -.03380899 |
| 7 | 5s | 14.997083 | .00099406 |
| 8 | 3s | .703474 | -.00063038 |
| 9 | 2s | 36.802791 | .00001126 |
| ORB.ENERGY,a.u. | -.654320 | ||
| NORM | 1.000000 | < R > | 1.254685 | < R2 > | 1.880695 | < 1/R > | 1.139354 | < 1/R**2 > | 5.274099 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.229732 | .71792807 |
| 2 | 1s | 9.301724 | .22517139 |
| 3 | 1s | 2.663899 | .00491497 |
| 4 | 2s | 6.904129 | .08333565 |
| 5 | 3s | 7.780473 | -.02157600 |
| 6 | 4s | 12.681947 | .00689870 |
| 7 | 5s | 28.085764 | .00017107 |
| ORB.ENERGY,a.u. | -15.024000 |
| NORM | 1.000000 | < R > | .228096 | < R2 > | .070103 | < 1/R > | 6.656513 | < 1/R**2 > | 89.906580 |
Total Energy= -53.98256801 a.u.
Kinetic Energy= 53.98705336 a.u.
Potential Energy= -107.96962137 a.u.
Virial Ratio = -1.99991692