(1s 2 2s 2 3d 1 ) 2 D N 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 3d- electron | |
| 1 | 3d | 1.047211 | .92594360 |
| 2 | 3d | 2.669508 | .04179283 |
| 3 | 4d | .979806 | .04022678 |
| 4 | 5d | 2.394708 | .02044530 |
| 5 | 4d | 6.135688 | -.00105447 |
| ORB.ENERGY,a.u. | -.517400 | ||
| NORM | 1.000000 | < R > | 3.301165 | < R2 > | 12.576779 | < 1/R > | .358757 | < 1/R**2 > | .158111 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.279527 | .29385028 |
| 2 | 2s | 2.275160 | -.74323738 |
| 3 | 3s | 3.651370 | -.28723461 |
| 4 | 4s | 9.141285 | .01026115 |
| 5 | 5s | 3.498977 | -.03709999 |
| 6 | 3s | 9.144499 | .00832609 |
| 7 | 4s | 28.952194 | -.00007439 |
| 8 | 3s | 1.281776 | -.00097714 |
| ORB.ENERGY,a.u. | -2.354800 | ||
| NORM | 1.000000 | < R > | 1.118039 | < R2 > | 1.469225 | < 1/R > | 1.280495 | < 1/R**2 > | 6.597420 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.248219 | .70844439 |
| 2 | 1s | 9.284755 | .23155053 |
| 3 | 2s | 7.168675 | .08370317 |
| 4 | 3s | 7.947189 | -.01530107 |
| 5 | 4s | 12.943512 | .00992732 |
| 6 | 5s | 16.488221 | -.00188729 |
| 7 | 3s | 31.254292 | .00001839 |
| ORB.ENERGY,a.u. | -17.538000 |
| NORM | 1.000000 | < R > | .227004 | < R2 > | .069265 | < 1/R > | 6.675837 | < 1/R**2 > | 90.301182 |
Total Energy= -51.60235164 a.u.
Kinetic Energy= 51.59974003 a.u.
Potential Energy= -103.20209168 a.u.
Virial Ratio = -2.00005061