(1s 2 2s 1 4s 1 ) 1 S Na 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 7.863698 | .09337077 |
| 2 | 2s | 2.239999 | -1.48413908 |
| 3 | 3s | 2.186571 | 4.24692677 |
| 4 | 4s | 2.086279 | -3.51731843 |
| 5 | 5s | 3.445721 | .23038211 |
| 6 | 4s | 5.910946 | -.07672766 |
| 7 | 5s | 22.245386 | .00112161 |
| 8 | 4s | 30.980716 | .00022146 |
| ORB.ENERGY,a.u. | -2.170900 | ||
| NORM | 1.000001 | < R > | 2.766713 | < R2 > | 8.564198 | < 1/R > | .465112 | < 1/R**2 > | .956499 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.603796 | .32704993 |
| 2 | 2s | 2.495784 | -.83748170 |
| 3 | 3s | 6.220389 | -.65514591 |
| 4 | 4s | 3.442023 | .57333474 |
| 5 | 5s | 1.949849 | -.19546040 |
| 6 | 5s | 13.887752 | -.00868064 |
| 7 | 4s | 22.053890 | -.00031034 |
| 8 | 4s | 1.455205 | .09580035 |
| 9 | 2s | 39.848306 | .00005036 |
| 10 | 5s | 1.204130 | -.01622830 |
| 11 | 3s | .720133 | .00423440 |
| ORB.ENERGY,a.u. | -10.552000 | ||
| NORM | 1.000000 | < R > | .622088 | < R2 > | .507108 | < 1/R > | 2.433629 | < 1/R**2 > | 23.965465 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.419235 | .93498681 |
| 2 | 1s | 17.086620 | .05521340 |
| 3 | 2s | 13.193764 | .01461810 |
| 4 | 3s | 7.946778 | .00210874 |
| 5 | 4s | 42.776659 | -.00066467 |
| 6 | 5s | 56.592109 | .00024476 |
| 7 | 5s | 4.227182 | .00049169 |
| 8 | 4s | 1.824639 | -.00043024 |
| ORB.ENERGY,a.u. | -49.899000 |
| NORM | 1.000000 | < R > | .141427 | < R2 > | .026811 | < 1/R > | 10.675453 | < 1/R**2 > | 229.802894 |
Total Energy= -127.41457387 a.u.
Kinetic Energy= 127.40157358 a.u.
Potential Energy= -254.81614745 a.u.
Virial Ratio = -2.00010204