(1s 2 2s 2 2p 5 3d 1 ) 1 D Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | .330343 | 1.00469626 |
| 2 | 3d | 3.201966 | .00185587 |
| 3 | 4d | 2.144482 | .00260134 |
| 4 | 5d | .333310 | -.00633246 |
| ORB.ENERGY,a.u. | -.055231 | ||
| NORM | 1.000000 | < R > | 10.560170 | < R2 > | 127.449083 | < 1/R > | .110577 | < 1/R**2 > | .014737 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.733233 | .13524064 |
| 2 | 2p | 2.556650 | .58833005 |
| 3 | 2p | 4.480247 | .30466701 |
| 4 | 2p | 10.323267 | .01865759 |
| 5 | 4p | 2.268750 | .03183082 |
| 6 | 4p | 10.357313 | .01403508 |
| 7 | 3p | 1.699990 | -.01689179 |
| 8 | 3p | 13.762157 | .00278905 |
| ORB.ENERGY,a.u. | -1.269300 | ||
| NORM | 1.000000 | < R > | .875883 | < R2 > | .982054 | < 1/R > | 1.536900 | < 1/R**2 > | 3.420231 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.412503 | .30167037 |
| 2 | 2s | 3.729808 | -.78607114 |
| 3 | 3s | 2.882059 | -.34020435 |
| 4 | 4s | 13.305544 | .01568563 |
| 5 | 3s | 23.283564 | .00218119 |
| 6 | 5s | 1.832594 | -.01508520 |
| 7 | 5s | 24.494295 | .00186142 |
| 8 | 4s | 1.474952 | .01717122 |
| 9 | 3s | 1.037039 | -.00374415 |
| 10 | 2s | 48.266287 | .00005590 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860293 | < R2 > | .890319 | < 1/R > | 1.685594 | < 1/R**2 > | 11.736092 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241458 | .92193124 |
| 2 | 1s | 14.465609 | .08149010 |
| 3 | 2s | 5.553530 | .00857071 |
| 4 | 3s | 13.421115 | -.00702801 |
| 5 | 4s | 19.914979 | .00340452 |
| 6 | 5s | 31.603404 | -.00006346 |
| 7 | 5s | 3.659589 | .00023410 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620052 | < 1/R**2 > | 187.253832 |
Total Energy= -127.87434651 a.u.
Kinetic Energy= 127.87305413 a.u.
Potential Energy= -255.74740064 a.u.
Virial Ratio = -2.00001011