(1s 2 2s 2 2p 1 5p 1 ) 1 S N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1051.
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 | 5p- electron | |
| 1 | 2p | 3.425089 | .02015772 |
| 2 | 3p | .666264 | -1.27698507 |
| 3 | 4p | .465347 | 3.93325395 |
| 4 | 5p | .436633 | -3.51819208 |
| 5 | 2p | 1.005902 | .14239274 |
| 6 | 5p | 2.901829 | .01106272 |
| 7 | 3p | 6.332766 | -.00126388 |
| ORB.ENERGY,a.u. | -.093389 | ||
| NORM | .999989 | < R > | 15.590879 | < R2 > | 272.897433 | < 1/R > | .084612 | < 1/R**2 > | .015149 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | .288693 | .25840074 |
| 2 | 2p | 2.054008 | .84200382 |
| 3 | 2p | 3.578371 | .18008339 |
| 4 | 2p | 8.621244 | .00697793 |
| 5 | 4p | .699367 | -.12644139 |
| 6 | 5p | .745660 | .11317509 |
| 7 | 5p | 4.760072 | .00286784 |
| 8 | 4p | .335977 | -.27790599 |
| 9 | 4p | 24.366542 | .00005975 |
| ORB.ENERGY,a.u. | -1.626400 | ||
| NORM | 1.000000 | < R > | 1.130198 | < R2 > | 1.904134 | < 1/R > | 1.157333 | < 1/R**2 > | 1.858842 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.427939 | .26752427 |
| 2 | 2s | 2.000323 | -.76139273 |
| 3 | 3s | 3.457161 | -.27606550 |
| 4 | 4s | 13.253442 | .00219610 |
| 5 | 5s | 7.047193 | -.02387087 |
| 6 | 5s | 2.277267 | .03206973 |
| 7 | 4s | 29.831981 | .00002920 |
| 8 | 4s | 1.917939 | -.00926683 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179661 | < R2 > | 1.645119 | < 1/R > | 1.210561 | < 1/R**2 > | 5.921763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.250651 | .00600897 |
| 2 | 1s | 6.253716 | .70944759 |
| 3 | 1s | 9.330648 | .22659701 |
| 4 | 2s | 7.136980 | .08428051 |
| 5 | 3s | 7.706765 | -.01451194 |
| 6 | 4s | 12.814347 | .00520090 |
| 7 | 5s | 22.008617 | .00018325 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227676 | < R2 > | .069775 | < 1/R > | 6.663774 | < 1/R**2 > | 90.053493 |
Total Energy= -52.91229496 a.u.
Kinetic Energy= 52.90912586 a.u.
Potential Energy= -105.82142082 a.u.
Virial Ratio = -2.00005990