(1s 2 2s 2 2p 5 4p 1 ) 3 D Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 4p- electron | |
| 1 | 2p | 4.130040 | .12870157 |
| 2 | 3p | .450886 | 1.97597742 |
| 3 | 4p | 1.210216 | -.48513166 |
| 4 | 5p | 2.364148 | -.09130461 |
| 5 | 3p | 5.821489 | -.02675524 |
| 6 | 5p | .527839 | -.82304983 |
| 7 | 4p | 15.772993 | -.00062409 |
| 8 | 3p | .744363 | -.61579600 |
| 9 | 4p | .523238 | .36396368 |
| 10 | 3p | 21.041190 | -.00010511 |
| ORB.ENERGY,a.u. | -.180920 | ||
| NORM | 1.000001 | < R > | 7.872509 | < R2 > | 70.266754 | < 1/R > | .173513 | < 1/R**2 > | .091257 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.828717 | 1.41385694 |
| 2 | 3p | 3.430548 | -.51960310 |
| 3 | 2p | 7.791461 | .10008452 |
| 4 | 4p | 8.742416 | .02841683 |
| 5 | 5p | 2.117623 | .03287666 |
| 6 | 4p | 1.879948 | -.03654097 |
| 7 | 4p | 12.591226 | .00136928 |
| 8 | 5p | 59.551894 | .00001625 |
| 9 | 3p | .420675 | -.00051171 |
| ORB.ENERGY,a.u. | -2.374800 | ||
| NORM | 1.000000 | < R > | .739076 | < R2 > | .690231 | < 1/R > | 1.796177 | < 1/R**2 > | 4.606834 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.123707 | .32117583 |
| 2 | 2s | 4.160692 | -.81488712 |
| 3 | 3s | 3.304080 | -.31566675 |
| 4 | 4s | 14.720822 | .01139614 |
| 5 | 3s | 19.591365 | .00190244 |
| 6 | 5s | 27.814815 | .00045277 |
| 7 | 5s | 2.246284 | -.02609360 |
| 8 | 4s | 1.995349 | .03050018 |
| 9 | 3s | 44.013266 | -.00001691 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753257 | < R2 > | .678530 | < 1/R > | 1.926449 | < 1/R**2 > | 15.307867 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229865 | .91337177 |
| 2 | 1s | 15.493172 | .08642340 |
| 3 | 2s | 5.347549 | .01504081 |
| 4 | 3s | 7.014227 | -.01793816 |
| 5 | 4s | 9.110083 | .01105952 |
| 6 | 5s | 25.884387 | .00104590 |
| 7 | 4s | 58.383294 | -.00005799 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142774 | < R2 > | .027439 | < 1/R > | 10.610971 | < 1/R**2 > | 227.648826 |
Total Energy= -160.17663277 a.u.
Kinetic Energy= 160.17831558 a.u.
Potential Energy= -320.35494835 a.u.
Virial Ratio = -1.99998949