(1s 2 2s 2 2p 1 4d 1 ) 3 F C 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | .299982 | 1.31693202 |
| 2 | 4d | .247223 | -1.73946477 |
| 3 | 3d | 1.379473 | .01667038 |
| 4 | 5d | .579930 | -.05114772 |
| 5 | 4d | 3.294234 | .00139591 |
| 6 | 5d | 9.401896 | .00006439 |
| 7 | 3d | 9.594708 | .00002042 |
| ORB.ENERGY,a.u. | -.031683 | ||
| NORM | 1.000001 | < R > | 20.555238 | < R2 > | 485.265346 | < 1/R > | .065268 | < 1/R**2 > | .007235 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.584495 | .81842406 |
| 2 | 2p | 2.569193 | .22942010 |
| 3 | 2p | 6.583508 | .01039179 |
| 4 | 3p | 2.678499 | -.05228489 |
| 5 | 4p | 1.447037 | .03901373 |
| 6 | 4p | 10.337302 | -.00053647 |
| 7 | 5p | .725112 | .00024565 |
| ORB.ENERGY,a.u. | -.787090 | ||
| NORM | 1.000000 | < R > | 1.473754 | < R2 > | 2.695179 | < 1/R > | .884689 | < 1/R**2 > | 1.102314 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.578970 | .24038967 |
| 2 | 2s | 1.553311 | -.76102541 |
| 3 | 3s | 2.863850 | -.27231823 |
| 4 | 4s | 11.620607 | .00202123 |
| 5 | 5s | 5.914639 | -.02860496 |
| 6 | 5s | 1.871312 | .02731305 |
| 7 | 2s | 34.528201 | -.00000423 |
| ORB.ENERGY,a.u. | -1.056900 | ||
| NORM | 1.000000 | < R > | 1.475746 | < R2 > | 2.590403 | < 1/R > | .961078 | < 1/R**2 > | 3.715706 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.213050 | .71612224 |
| 2 | 1s | 8.200533 | .22613663 |
| 3 | 1s | 2.377889 | .00350064 |
| 4 | 2s | 6.450032 | .08054003 |
| 5 | 3s | 6.779395 | -.01401853 |
| 6 | 4s | 10.926398 | .00564965 |
| 7 | 5s | 42.309532 | -.00002671 |
| ORB.ENERGY,a.u. | -11.576000 |
| NORM | 1.000000 | < R > | .268102 | < R2 > | .096879 | < 1/R > | 5.668496 | < 1/R**2 > | 65.302683 |
Total Energy= -37.32413006 a.u.
Kinetic Energy= 37.32390502 a.u.
Potential Energy= -74.64803508 a.u.
Virial Ratio = -2.00000603