(1s 2 2s 2 2p 6 3s 2 4p 1 ) 2 P Al 0
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 | 4p | .344276 | -1.88113359 |
| 2 | 2p | .266679 | -2.31379838 |
| 3 | 3p | .312026 | 5.02909042 |
| 4 | 4p | 1.279835 | -.09866832 |
| 5 | 2p | 4.510714 | .08629773 |
| 6 | 5p | 2.534923 | -.04845268 |
| 7 | 3p | 6.260360 | -.02424754 |
| 8 | 4p | 18.453186 | -.00036996 |
| 9 | 5p | 51.500186 | -.00001739 |
| ORB.ENERGY,a.u. | -.065547 | ||
| NORM | 1.000001 | < R > | 10.776247 | < R2 > | 131.177330 | < 1/R > | .121020 | < 1/R**2 > | .042958 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.151072 | -.05361310 |
| 2 | 1s | 9.948682 | .11260753 |
| 3 | 1s | 56.244607 | .00002882 |
| 4 | 2s | 4.142990 | -.26493685 |
| 5 | 3s | 1.436938 | .81511017 |
| 6 | 4s | 2.513587 | .18183451 |
| 7 | 5s | 1.382326 | .06990522 |
| 8 | 5s | 12.202590 | -.00390726 |
| 9 | 3s | 31.585274 | -.00023941 |
| ORB.ENERGY,a.u. | -.473950 | ||
| NORM | 1.000000 | < R > | 2.439271 | < R2 > | 6.852830 | < 1/R > | .537704 | < 1/R**2 > | 1.548246 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 13.556411 | .01232327 |
| 2 | 5p | 10.722910 | -.01038855 |
| 3 | 2p | 6.100084 | .54436528 |
| 4 | 3p | 4.698824 | .43367498 |
| 5 | 4p | 3.861133 | .12436193 |
| 6 | 5p | 3.085672 | .01036051 |
| 7 | 3p | 34.821080 | .00003818 |
| 8 | 4p | 1.605183 | .00061471 |
| ORB.ENERGY,a.u. | -3.027200 | ||
| NORM | 1.000000 | < R > | .600396 | < R2 > | .455078 | < 1/R > | 2.205504 | < 1/R**2 > | 6.917993 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.554550 | .34402889 |
| 2 | 2s | 4.447163 | -.76943371 |
| 3 | 3s | 3.939252 | -.17060595 |
| 4 | 3s | 12.719950 | .01431343 |
| 5 | 2s | 6.189452 | -.18800047 |
| 6 | 4s | 21.049295 | .00189826 |
| 7 | 5s | 3.686020 | -.00425334 |
| 8 | 5s | 81.965228 | -.00000676 |
| ORB.ENERGY,a.u. | -4.716900 | ||
| NORM | 1.000000 | < R > | .619612 | < R2 > | .458203 | < 1/R > | 2.350487 | < 1/R**2 > | 22.824073 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.586500 | 1.01575029 |
| 2 | 2s | 17.925508 | -.02458819 |
| 3 | 3s | 8.777948 | .02364312 |
| 4 | 4s | 41.109342 | -.00021192 |
| 5 | 4s | 29.392326 | .00036668 |
| 6 | 2s | 65.580581 | .00002903 |
| 7 | 5s | 10.827334 | -.00905138 |
| 8 | 3s | 4.260995 | .00027316 |
| 9 | 2s | 132.250726 | -.00000026 |
| ORB.ENERGY,a.u. | -57.648000 |
| NORM | 1.000000 | < R > | .120255 | < R2 > | .019457 | < 1/R > | 12.589485 | < 1/R**2 > | 320.138347 |
Total Energy= -241.74023817 a.u.
Kinetic Energy= 241.74024353 a.u.
Potential Energy= -483.48048170 a.u.
Virial Ratio = -1.99999998