(1s 2 2s 2 2p 2 4d 1 ) 2 F F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 4d- electron | |
| 1 | 3d | .885647 | 1.34099266 |
| 2 | 4d | .743704 | -1.78560404 |
| 3 | 3d | 3.587670 | .01287137 |
| 4 | 5d | 1.634185 | -.03520522 |
| 5 | 4d | 5.650473 | -.00057827 |
| 6 | 5d | .523380 | .00215169 |
| ORB.ENERGY,a.u. | -.285610 | ||
| NORM | 1.000001 | < R > | 6.856044 | < R2 > | 53.897289 | < 1/R > | .194171 | < 1/R**2 > | .062495 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.784446 | .80619022 |
| 2 | 2p | 4.646714 | .20571061 |
| 3 | 2p | 9.486089 | .01141791 |
| 4 | 3p | 2.403662 | .02382487 |
| 5 | 4p | 3.311591 | -.01382404 |
| 6 | 5p | 19.164877 | -.00075146 |
| 7 | 5p | .734157 | .00016121 |
| 8 | 4p | 27.434324 | -.00013722 |
| ORB.ENERGY,a.u. | -2.951000 | ||
| NORM | 1.000000 | < R > | .817353 | < R2 > | .822058 | < 1/R > | 1.577931 | < 1/R**2 > | 3.454264 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.452493 | .33226346 |
| 2 | 2s | 3.410282 | -.85079863 |
| 3 | 3s | 3.095737 | -.25882917 |
| 4 | 4s | 10.570229 | .01343710 |
| 5 | 3s | 11.483346 | .01132775 |
| 6 | 5s | 3.076593 | -.01232940 |
| 7 | 5s | 39.798323 | -.00008888 |
| 8 | 3s | 1.816183 | .00106944 |
| 9 | 2s | 66.151986 | .00000591 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .880985 | < R2 > | .917569 | < 1/R > | 1.636321 | < 1/R**2 > | 10.902751 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278125 | .68791050 |
| 2 | 1s | 12.188699 | .22286060 |
| 3 | 1s | 2.661999 | .00550969 |
| 4 | 2s | 9.054112 | .12786273 |
| 5 | 3s | 10.135324 | -.02744979 |
| 6 | 4s | 17.036386 | .00335320 |
| 7 | 5s | 4.777793 | -.00125813 |
| 8 | 5s | 53.104946 | -.00003232 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175225 | < R2 > | .041296 | < 1/R > | 8.645470 | < 1/R**2 > | 151.230143 |
Total Energy= -95.61068284 a.u.
Kinetic Energy= 95.60522327 a.u.
Potential Energy= -191.21590611 a.u.
Virial Ratio = -2.00005711