(1s 2 2s 2 2p 3 ) 4 S F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4021.
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 | 2p- electron | |
| 1 | 2p | 2.538085 | .74327888 |
| 2 | 2p | 4.319192 | .27802312 |
| 3 | 2p | 10.499489 | .00832214 |
| 4 | 3p | 1.665600 | .04579994 |
| 5 | 4p | 1.534624 | -.01643862 |
| 6 | 4p | 6.526186 | -.01173260 |
| 7 | 5p | 19.192580 | -.00025600 |
| 8 | 5p | 1.362497 | .01058564 |
| 9 | 3p | 1.051464 | -.01204577 |
| ORB.ENERGY,a.u. | -2.289100 | ||
| NORM | 1.000000 | < R > | .878118 | < R2 > | .959239 | < 1/R > | 1.487048 | < 1/R**2 > | 3.109543 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.485870 | .31548425 |
| 2 | 2s | 3.326088 | -.84157480 |
| 3 | 3s | 2.754058 | -.27004530 |
| 4 | 4s | 11.303844 | .00577924 |
| 5 | 3s | 9.642602 | .01533606 |
| 6 | 5s | 3.948196 | -.00821523 |
| 7 | 5s | 23.032746 | .00042211 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .920577 | < R2 > | 1.008590 | < 1/R > | 1.565742 | < 1/R**2 > | 10.030710 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.265799 | .68954100 |
| 2 | 1s | 12.225788 | .22126991 |
| 3 | 1s | 2.510536 | .00616430 |
| 4 | 2s | 9.096379 | .12705583 |
| 5 | 3s | 10.481961 | -.02730027 |
| 6 | 4s | 17.235077 | .00417692 |
| 7 | 5s | 4.480558 | -.00133902 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175513 | < R2 > | .041467 | < 1/R > | 8.636918 | < 1/R**2 > | 151.003735 |
Total Energy= -97.60897831 a.u.
Kinetic Energy= 97.60897809 a.u.
Potential Energy= -195.21795639 a.u.
Virial Ratio = -2.00000000