(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 2 P P 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 5d- electron | |
| 1 | 3d | .319728 | .79214670 |
| 2 | 4d | .232494 | -2.78200626 |
| 3 | 5d | .206168 | 2.61667043 |
| 4 | 3d | .853430 | .23599190 |
| 5 | 4d | 1.094819 | -.13577228 |
| 6 | 5d | 3.804929 | .00631111 |
| 7 | 3d | 4.718691 | .00393205 |
| 8 | 4d | 8.176315 | -.00017634 |
| ORB.ENERGY,a.u. | -.148660 | ||
| NORM | .999992 | < R > | 31.340665 | < R2 > | 1124.770166 | < 1/R > | .048044 | < 1/R**2 > | .006342 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.103509 | .26433247 |
| 2 | 2p | 1.078150 | -.87888968 |
| 3 | 3p | 1.983724 | -.29104257 |
| 4 | 2p | 8.135810 | .08490685 |
| 5 | 4p | 1.215223 | .12141928 |
| 6 | 3p | 12.463104 | -.00433425 |
| 7 | 4p | 30.143763 | -.00013381 |
| ORB.ENERGY,a.u. | -.495490 | ||
| NORM | 1.000000 | < R > | 2.133677 | < R2 > | 5.308445 | < 1/R > | .618115 | < 1/R**2 > | .842250 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.352176 | -.17725631 |
| 2 | 1s | 10.702523 | .17028462 |
| 3 | 1s | 41.195503 | .00023304 |
| 4 | 2s | 4.746974 | -.24274359 |
| 5 | 3s | 1.913545 | .83923416 |
| 6 | 4s | 3.412764 | .19456470 |
| 7 | 3s | 29.309614 | -.00058024 |
| 8 | 5s | 1.722763 | .06485026 |
| ORB.ENERGY,a.u. | -.939560 | ||
| NORM | 1.000000 | < R > | 1.848389 | < R2 > | 3.937670 | < 1/R > | .724880 | < 1/R**2 > | 2.968721 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.372494 | .42812163 |
| 2 | 3p | 6.500507 | .49499000 |
| 3 | 2p | 20.148157 | .00249411 |
| 4 | 4p | 5.240338 | .18069052 |
| 5 | 5p | 4.033946 | .01286315 |
| 6 | 3p | 38.447797 | .00006527 |
| 7 | 4p | 81.481749 | -.00000233 |
| 8 | 3p | 1.596498 | .00090792 |
| ORB.ENERGY,a.u. | -5.331600 | ||
| NORM | 1.000000 | < R > | .483348 | < R2 > | .291755 | < 1/R > | 2.706641 | < 1/R**2 > | 10.286707 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.194609 | .35988299 |
| 2 | 2s | 5.437915 | -.77666725 |
| 3 | 3s | 4.856952 | -.17146260 |
| 4 | 4s | 23.635244 | .00226704 |
| 5 | 2s | 6.760194 | -.17609763 |
| 6 | 3s | 15.375736 | .00817210 |
| 7 | 5s | 4.030673 | -.00308747 |
| 8 | 4s | 1.915908 | -.00025075 |
| 9 | 5s | 48.330539 | .00005387 |
| ORB.ENERGY,a.u. | -7.415300 | ||
| NORM | 1.000000 | < R > | .515310 | < R2 > | .315432 | < 1/R > | 2.833507 | < 1/R**2 > | 33.095392 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 5s | 18.417732 | -.00021628 |
| 2 | 1s | 14.570410 | 1.01425917 |
| 3 | 2s | 21.105419 | -.02188142 |
| 4 | 3s | 11.321558 | .01689844 |
| 5 | 4s | 20.112545 | -.00094960 |
| 6 | 5s | 17.686786 | .00342812 |
| 7 | 5s | 62.457463 | -.00003186 |
| 8 | 4s | 12.074561 | -.00660209 |
| 9 | 2s | 54.221670 | .00013074 |
| 10 | 3s | 7.509404 | .00141311 |
| ORB.ENERGY,a.u. | -79.274000 |
| NORM | 1.000000 | < R > | .103801 | < R2 > | .014487 | < 1/R > | 14.573875 | < 1/R**2 > | 428.620911 |
Total Energy= -340.37125943 a.u.
Kinetic Energy= 340.37145827 a.u.
Potential Energy= -680.74271770 a.u.
Virial Ratio = -1.99999942