(1s 2 2s 2 2p 6 5d 1 ) 2 D Ar 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 5d- electron | |
| 1 | 3d | 2.028411 | 1.51396859 |
| 2 | 4d | 1.783362 | -4.05338238 |
| 3 | 5d | 1.609307 | 3.16439867 |
| 4 | 3d | 5.007227 | .12203221 |
| 5 | 4d | 6.434519 | -.05499042 |
| 6 | 5d | 12.495115 | -.00031200 |
| 7 | 3d | 27.236107 | .00001470 |
| 8 | 4d | .565671 | -.00039745 |
| ORB.ENERGY,a.u. | -1.325900 | ||
| NORM | 1.000001 | < R > | 4.140252 | < R2 > | 19.499716 | < 1/R > | .341562 | < 1/R**2 > | .253634 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.164678 | .45889282 |
| 2 | 3p | 8.309563 | .46451646 |
| 3 | 5p | 6.470333 | .01518679 |
| 4 | 4p | 7.140021 | .15996751 |
| 5 | 2p | 21.689138 | .00409011 |
| 6 | 5p | 15.485461 | -.00347904 |
| 7 | 4p | 66.252633 | .00002995 |
| 8 | 3p | 104.270385 | .00000306 |
| 9 | 5p | .926668 | .00001558 |
| ORB.ENERGY,a.u. | -14.546000 | ||
| NORM | 1.000000 | < R > | .370371 | < R2 > | .169061 | < 1/R > | 3.484657 | < 1/R**2 > | 16.814098 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.413574 | .38921045 |
| 2 | 2s | 7.559210 | -.84436456 |
| 3 | 3s | 6.712738 | -.30755950 |
| 4 | 4s | 30.312062 | .00161993 |
| 5 | 3s | 17.629291 | .00839199 |
| 6 | 2s | 5.916380 | .00360494 |
| 7 | 5s | 5.562326 | -.00108401 |
| 8 | 4s | 3.331908 | .00012335 |
| ORB.ENERGY,a.u. | -17.326000 | ||
| NORM | 1.000000 | < R > | .408639 | < R2 > | .197146 | < 1/R > | 3.583902 | < 1/R**2 > | 52.727870 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 2s | 2.782244 | .00000827 |
| 2 | 1s | 17.577201 | 1.01046998 |
| 3 | 2s | 23.138511 | -.01896890 |
| 4 | 3s | 15.590038 | .01582332 |
| 5 | 4s | 65.966507 | -.00052451 |
| 6 | 5s | 11.662550 | .00105936 |
| 7 | 5s | 82.667070 | .00017665 |
| 8 | 4s | 11.665506 | -.00084687 |
| 9 | 2s | 34.423452 | -.00081274 |
| 10 | 3s | 123.498105 | -.00001521 |
| ORB.ENERGY,a.u. | -123.610000 |
| NORM | 1.000000 | < R > | .086057 | < R2 > | .009947 | < 1/R > | 17.559601 | < 1/R**2 > | 621.484223 |
Total Energy= -507.29619932 a.u.
Kinetic Energy= 507.29404917 a.u.
Potential Energy= -1014.59024849 a.u.
Virial Ratio = -2.00000424