(1s 2 2s 2 2p 4 3d 1 ) 4 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | 1.057912 | 1.08209381 |
| 2 | 3d | 3.534666 | .03496605 |
| 3 | 4d | 1.437778 | -.11531626 |
| 4 | 5d | 5.510325 | -.00403901 |
| 5 | 5d | 1.025839 | .02893068 |
| 6 | 4d | 20.535226 | .00004209 |
| ORB.ENERGY,a.u. | -.510190 | ||
| NORM | 1.000000 | < R > | 3.342929 | < R2 > | 12.912567 | < 1/R > | .356051 | < 1/R**2 > | .158086 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.139700 | 1.37939394 |
| 2 | 3p | 3.810038 | -.44623883 |
| 3 | 2p | 8.325934 | .07171574 |
| 4 | 4p | 9.442452 | .01895882 |
| 5 | 5p | 25.510936 | -.00011523 |
| 6 | 5p | 2.749092 | .01445090 |
| 7 | 4p | 59.729554 | .00000431 |
| 8 | 4p | 2.832452 | -.02909092 |
| ORB.ENERGY,a.u. | -3.137300 | ||
| NORM | 1.000000 | < R > | .690198 | < R2 > | .593930 | < 1/R > | 1.894889 | < 1/R**2 > | 5.049405 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.070335 | .33502508 |
| 2 | 2s | 4.235258 | -.82977371 |
| 3 | 3s | 3.560696 | -.29500423 |
| 4 | 4s | 13.853485 | .01101944 |
| 5 | 3s | 15.410060 | .00464943 |
| 6 | 5s | 28.324384 | .00038520 |
| 7 | 5s | 2.552804 | -.00111747 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .728056 | < R2 > | .630052 | < 1/R > | 1.991423 | < 1/R**2 > | 16.285401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243691 | .91123934 |
| 2 | 1s | 15.432956 | .08736852 |
| 3 | 2s | 5.656316 | .01836231 |
| 4 | 3s | 7.096294 | -.01929671 |
| 5 | 4s | 9.048997 | .00950577 |
| 6 | 5s | 26.228532 | .00115102 |
| 7 | 4s | 61.705500 | -.00004592 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142635 | < R2 > | .027370 | < 1/R > | 10.617149 | < 1/R**2 > | 227.849050 |
Total Energy= -157.94129927 a.u.
Kinetic Energy= 157.93394603 a.u.
Potential Energy= -315.87524530 a.u.
Virial Ratio = -2.00004656