(1s 2 2s 2 4p 1 ) 2 P Na 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4.828369 | .30622998 |
| 2 | 3p | 1.784112 | -.74299376 |
| 3 | 5p | 1.974821 | 1.59272979 |
| 4 | 4p | 2.908572 | -.55018892 |
| 5 | 5p | 5.974172 | .04260579 |
| 6 | 4p | 14.180175 | -.00468673 |
| 7 | 5p | 31.813253 | -.00050983 |
| 8 | 4p | 1.485266 | .08977561 |
| 9 | 4p | 48.823663 | -.00010028 |
| ORB.ENERGY,a.u. | -1.652600 | ||
| NORM | .999999 | < R > | 3.043568 | < R2 > | 10.498337 | < 1/R > | .472523 | < 1/R**2 > | .636191 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.416111 | .36420234 |
| 2 | 2s | 4.225103 | -.78429501 |
| 3 | 3s | 5.484304 | -.28211162 |
| 4 | 5s | 10.500947 | -.02326042 |
| 5 | 4s | 21.538363 | .00363351 |
| 6 | 5s | 31.009196 | -.00065114 |
| 7 | 4s | 2.022539 | .00053657 |
| ORB.ENERGY,a.u. | -9.134400 | ||
| NORM | 1.000000 | < R > | .637328 | < R2 > | .474971 | < 1/R > | 2.285805 | < 1/R**2 > | 21.072261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.349349 | .94580803 |
| 2 | 1s | 17.511495 | .05236795 |
| 3 | 2s | 10.794261 | .01982986 |
| 4 | 3s | 13.101102 | -.01550639 |
| 5 | 5s | 24.028313 | .00155845 |
| 6 | 4s | 56.060357 | -.00008711 |
| ORB.ENERGY,a.u. | -49.433000 |
| NORM | 1.000000 | < R > | .141489 | < R2 > | .026830 | < 1/R > | 10.670808 | < 1/R**2 > | 229.621046 |
Total Energy= -136.44043603 a.u.
Kinetic Energy= 136.44044130 a.u.
Potential Energy= -272.88087732 a.u.
Virial Ratio = -1.99999996