(1s 2 2s 2 2p 1 4p 1 ) 1 D S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 6.523278 | .25281160 |
| 2 | 3p | 3.271231 | -.99706719 |
| 3 | 5p | 3.124026 | 1.41350286 |
| 4 | 4p | 4.569725 | -.25469644 |
| 5 | 5p | 8.454957 | .04915665 |
| 6 | 4p | 18.439371 | -.00339176 |
| 7 | 5p | 2.679831 | .15055667 |
| 8 | 5p | 42.072380 | -.00041809 |
| 9 | 4p | 64.581285 | -.00007950 |
| ORB.ENERGY,a.u. | -4.053600 | ||
| NORM | 1.000000 | < R > | 1.945980 | < R2 > | 4.272769 | < 1/R > | .661445 | < 1/R**2 > | .848994 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 14.807271 | .02661726 |
| 2 | 5p | 11.794890 | -.01880782 |
| 3 | 5p | 3.064421 | .15682542 |
| 4 | 4p | 31.682182 | -.00041788 |
| 5 | 3p | 1.942334 | .00590535 |
| 6 | 2p | 6.661804 | 1.04245055 |
| 7 | 3p | 3.536517 | -.13352253 |
| ORB.ENERGY,a.u. | -20.051000 | ||
| NORM | 1.000000 | < R > | .373062 | < R2 > | .201120 | < 1/R > | 3.508187 | < 1/R**2 > | 16.629127 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.758444 | .37902359 |
| 2 | 2s | 6.113695 | -.81181773 |
| 3 | 3s | 8.827339 | -.28411678 |
| 4 | 4s | 29.611556 | .00142913 |
| 5 | 5s | 16.996396 | -.00915488 |
| 6 | 5s | 6.747337 | .01640327 |
| 7 | 4s | 3.022059 | .00026772 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424552 | < R2 > | .210859 | < 1/R > | 3.458908 | < 1/R**2 > | 48.377409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.174354 | .93591045 |
| 2 | 1s | 23.921946 | .06144785 |
| 3 | 2s | 14.366462 | .02506584 |
| 4 | 3s | 23.396735 | -.00880239 |
| 5 | 4s | 19.221329 | -.01225757 |
| 6 | 5s | 42.053965 | .00069589 |
| 7 | 3s | 75.338706 | -.00002803 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096377 | < R2 > | .012440 | < 1/R > | 15.645674 | < 1/R**2 > | 492.665872 |
Total Energy= -320.45738110 a.u.
Kinetic Energy= 320.43404847 a.u.
Potential Energy= -640.89142957 a.u.
Virial Ratio = -2.00007282