(1s 2 2s 2 5s 1 ) 2 S N 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 6.057903 | .04969474 |
| 2 | 2s | 1.649689 | -.34793879 |
| 3 | 3s | 1.017460 | 1.56865339 |
| 4 | 4s | .706101 | -4.65080419 |
| 5 | 5s | .677654 | 4.07964833 |
| 6 | 5s | 7.824681 | -.00473257 |
| 7 | 4s | 4.374850 | -.02657472 |
| ORB.ENERGY,a.u. | -.220770 | ||
| NORM | 1.000005 | < R > | 10.225188 | < R2 > | 116.965466 | < 1/R > | .138243 | < 1/R**2 > | .178170 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.182410 | .30208105 |
| 2 | 2s | 2.391492 | -.74365286 |
| 3 | 3s | 3.431806 | -.28739396 |
| 4 | 4s | 12.791717 | .00408243 |
| 5 | 5s | 3.065661 | -.04451504 |
| 6 | 3s | 9.288382 | .00614460 |
| 7 | 5s | 10.476892 | .00852874 |
| ORB.ENERGY,a.u. | -2.615200 | ||
| NORM | 1.000000 | < R > | 1.112580 | < R2 > | 1.452620 | < 1/R > | 1.286041 | < 1/R**2 > | 6.650040 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.247558 | .70851973 |
| 2 | 1s | 9.283735 | .23158969 |
| 3 | 2s | 7.146405 | .08393867 |
| 4 | 3s | 7.841245 | -.01505709 |
| 5 | 4s | 13.140364 | .00904913 |
| 6 | 5s | 17.087058 | -.00167776 |
| 7 | 3s | 42.494156 | .00001465 |
| ORB.ENERGY,a.u. | -17.796000 |
| NORM | 1.000000 | < R > | .227014 | < R2 > | .069271 | < 1/R > | 6.675609 | < 1/R**2 > | 90.295890 |
Total Energy= -51.30303322 a.u.
Kinetic Energy= 51.30303477 a.u.
Potential Energy= -102.60606799 a.u.
Virial Ratio = -1.99999997