(1s 2 2s 2 2p 6 3s 2 3p 3 3d 1 ) 3 D Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 1.030032 | 1.06188620 |
| 2 | 4d | 1.091649 | -.39250184 |
| 3 | 3d | 2.172085 | 1.21235907 |
| 4 | 4d | 2.609992 | -1.15355777 |
| 5 | 5d | 3.033502 | .32658911 |
| 6 | 3d | 8.211155 | .01100224 |
| ORB.ENERGY,a.u. | -.602390 | ||
| NORM | 1.000000 | < R > | 2.417808 | < R2 > | 7.179583 | < 1/R > | .537289 | < 1/R**2 > | .402589 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.338254 | .58650301 |
| 2 | 2p | 1.948915 | -1.35534644 |
| 3 | 3p | 10.068109 | -.08731547 |
| 4 | 4p | 5.554470 | .12418035 |
| 5 | 5p | 11.155021 | -.02087279 |
| 6 | 3p | 2.081328 | .14736521 |
| 7 | 4p | 36.338064 | -.00017710 |
| 8 | 5p | 2.409254 | -.00599919 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.423110 | < R2 > | 2.348347 | < 1/R > | .941278 | < 1/R**2 > | 1.947302 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.475084 | .56062777 |
| 2 | 1s | 13.987526 | .11728149 |
| 3 | 2s | 5.294694 | -.63006239 |
| 4 | 3s | 2.818042 | .65503207 |
| 5 | 4s | 5.348660 | .09452009 |
| 6 | 2s | 8.899778 | -.12106844 |
| 7 | 4s | 28.618626 | .00074430 |
| 8 | 2s | 25.091966 | -.00068888 |
| 9 | 5s | 1.852044 | -.01579267 |
| 10 | 4s | 1.068093 | .00049800 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.323515 | < R2 > | 2.007586 | < 1/R > | 1.032981 | < 1/R**2 > | 6.271465 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.808125 | .46204971 |
| 2 | 3p | 8.175740 | .47202016 |
| 3 | 4p | 6.710167 | .15591061 |
| 4 | 5p | 4.894767 | .00772673 |
| 5 | 2p | 17.309552 | .01486513 |
| 6 | 5p | 14.450893 | -.01160996 |
| 7 | 4p | 64.079043 | .00006950 |
| 8 | 5p | 2.578996 | .00057198 |
| 9 | 3p | 94.742968 | .00002002 |
| 10 | 2p | 144.880520 | .00000192 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .375035 | < R2 > | .174097 | < 1/R > | 3.452792 | < 1/R**2 > | 16.551097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.347217 | .38970843 |
| 2 | 2s | 7.627996 | -.75826074 |
| 3 | 3s | 7.016523 | -.17746916 |
| 4 | 3s | 16.802061 | .01147973 |
| 5 | 2s | 5.180812 | -.19914563 |
| 6 | 4s | 30.880559 | .00153302 |
| 7 | 5s | 9.888796 | -.01305947 |
| 8 | 4s | 2.337644 | -.00096989 |
| 9 | 5s | 2.280165 | .00041864 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411375 | < R2 > | .200224 | < 1/R > | 3.562748 | < 1/R**2 > | 52.177642 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581436 | 1.00985799 |
| 2 | 2s | 22.356217 | -.01728573 |
| 3 | 3s | 14.951520 | .01749973 |
| 4 | 4s | 51.808772 | -.00051389 |
| 5 | 4s | 12.517452 | .00290576 |
| 6 | 5s | 61.844700 | .00011621 |
| 7 | 5s | 16.001731 | -.00407437 |
| 8 | 2s | 34.525872 | -.00228721 |
| 9 | 2s | 86.951887 | .00004102 |
| 10 | 5s | 3.397909 | -.00001741 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086090 | < R2 > | .009956 | < 1/R > | 17.555039 | < 1/R**2 > | 621.224797 |
Total Energy= -524.58066369 a.u.
Kinetic Energy= 524.46902083 a.u.
Potential Energy= -1049.04968452 a.u.
Virial Ratio = -2.00021287