(1s 2 2s 2 2p 5 3p 1 ) 3 P Al 3+
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 | 2p | 3.681948 | .38520019 |
| 2 | 3p | 1.683093 | -1.07080311 |
| 3 | 4p | 5.714605 | -.07359921 |
| 4 | 2p | 9.283538 | .03457672 |
| 5 | 5p | 15.315112 | .00197608 |
| 6 | 5p | 1.251997 | -.00806644 |
| 7 | 3p | 25.879631 | -.00003620 |
| 8 | 3p | .866669 | .00574537 |
| ORB.ENERGY,a.u. | -1.271600 | ||
| NORM | 1.000000 | < R > | 2.165824 | < R2 > | 5.355747 | < 1/R > | .605950 | < 1/R**2 > | .801153 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.791552 | 1.31058537 |
| 2 | 3p | 4.482711 | -.40657026 |
| 3 | 2p | 9.458260 | .09111154 |
| 4 | 4p | 11.169253 | .01911953 |
| 5 | 5p | 77.796011 | .00000983 |
| 6 | 5p | 2.607831 | .01224040 |
| 7 | 4p | 2.286873 | -.01322088 |
| ORB.ENERGY,a.u. | -4.958600 | ||
| NORM | 1.000000 | < R > | .566587 | < R2 > | .399957 | < 1/R > | 2.306208 | < 1/R**2 > | 7.467862 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.650821 | .34829631 |
| 2 | 2s | 5.131168 | -.82699394 |
| 3 | 3s | 4.352630 | -.30187718 |
| 4 | 4s | 16.673532 | .00501374 |
| 5 | 3s | 15.295263 | .00680385 |
| 6 | 5s | 33.536371 | .00031138 |
| 7 | 5s | 3.395909 | -.00250734 |
| ORB.ENERGY,a.u. | -6.075600 | ||
| NORM | 1.000000 | < R > | .603354 | < R2 > | .432403 | < 1/R > | 2.412295 | < 1/R**2 > | 23.948947 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.196340 | .91370578 |
| 2 | 1s | 18.085352 | .08396508 |
| 3 | 2s | 6.997500 | .01941979 |
| 4 | 3s | 8.820882 | -.02062568 |
| 5 | 4s | 11.160247 | .01077699 |
| 6 | 5s | 31.060692 | .00091836 |
| 7 | 4s | 71.047341 | -.00004294 |
| ORB.ENERGY,a.u. | -59.102000 |
| NORM | 1.000000 | < R > | .120160 | < R2 > | .019418 | < 1/R > | 12.595460 | < 1/R**2 > | 320.370516 |
Total Energy= -236.92462483 a.u.
Kinetic Energy= 236.91412104 a.u.
Potential Energy= -473.83874587 a.u.
Virial Ratio = -2.00004434