(1s 2 2s 2 2p 6 3s 1 3p 1 ) 3 P Al +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 4p | 7.513644 | .05555613 |
| 2 | 4p | 1.193142 | -.30305039 |
| 3 | 5p | 9.367197 | -.01463323 |
| 4 | 2p | 6.841176 | .10917064 |
| 5 | 3p | 3.889260 | .11470290 |
| 6 | 3p | 1.446294 | -.76574124 |
| ORB.ENERGY,a.u. | -.511930 | ||
| NORM | 1.000000 | < R > | 2.812609 | < R2 > | 9.129972 | < 1/R > | .459082 | < 1/R**2 > | .458948 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.339224 | -.10815246 |
| 2 | 1s | 4.555705 | .24325012 |
| 3 | 1s | 14.723027 | .01445143 |
| 4 | 2s | 5.616386 | -.38555187 |
| 5 | 3s | 1.430458 | .83608072 |
| 6 | 4s | 2.481590 | .25037585 |
| 7 | 5s | 6.326737 | -.04909605 |
| 8 | 4s | 20.999371 | .00032220 |
| 9 | 3s | .967357 | .01979557 |
| ORB.ENERGY,a.u. | -.645030 | ||
| NORM | 1.000000 | < R > | 2.375343 | < R2 > | 6.466785 | < 1/R > | .551882 | < 1/R**2 > | 1.643052 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.189127 | .52593605 |
| 2 | 3p | 4.988410 | .39144781 |
| 3 | 4p | 4.320476 | .16790676 |
| 4 | 5p | 3.625464 | .03191957 |
| 5 | 2p | 13.520807 | .01239707 |
| 6 | 5p | 10.647968 | -.01024829 |
| 7 | 4p | 53.437151 | .00001843 |
| 8 | 3p | 1.722075 | .00184079 |
| ORB.ENERGY,a.u. | -3.330400 | ||
| NORM | 1.000000 | < R > | .599428 | < R2 > | .453163 | < 1/R > | 2.207594 | < 1/R**2 > | 6.928293 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.818768 | .33108080 |
| 2 | 2s | 5.062987 | -.80850094 |
| 3 | 3s | 4.145306 | -.31468425 |
| 4 | 4s | 17.572081 | .01201776 |
| 5 | 3s | 30.258612 | .00222195 |
| 6 | 2s | 1.340389 | -.01008519 |
| 7 | 5s | 31.094178 | .00171884 |
| 8 | 4s | 1.760398 | .00487833 |
| 9 | 2s | 59.585584 | .00007959 |
| 10 | 4s | 114.086836 | .00000279 |
| ORB.ENERGY,a.u. | -5.072000 | ||
| NORM | 1.000000 | < R > | .620419 | < R2 > | .459538 | < 1/R > | 2.347530 | < 1/R**2 > | 22.770536 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586267 | 1.01575262 |
| 2 | 2s | 17.935995 | -.02460084 |
| 3 | 3s | 8.774343 | .02366078 |
| 4 | 4s | 40.549494 | -.00021246 |
| 5 | 4s | 29.457392 | .00036480 |
| 6 | 2s | 63.421942 | .00003233 |
| 7 | 5s | 10.808718 | -.00906166 |
| 8 | 3s | 4.414422 | .00029368 |
| 9 | 2s | 207.411330 | -.00000010 |
| ORB.ENERGY,a.u. | -58.021000 |
| NORM | 1.000000 | < R > | .120262 | < R2 > | .019460 | < 1/R > | 12.589057 | < 1/R**2 > | 320.122644 |
Total Energy= -241.50448576 a.u.
Kinetic Energy= 241.54276970 a.u.
Potential Energy= -483.04725546 a.u.
Virial Ratio = -1.99984150