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Derivation of the detailed expansion sto overlap integrals
2022-07-27 10:58:00 【Black elm】
The procedure for calculating the overlapping integral is
Check the double center overlapping integral program
The second way to calculate the overlapping integral
The calculation method obtained
Sab(doubleR,doubleza,doublezb, intn1,intL1 ,intm ,intn2 ,intL2 )
set up R=1,za=1,zb=1 take n<=5,n1<=5 All non repeating 238 All cases are calculated for use openscad Draw a picture , such as
0.324963963 | 5 | 3 | 1 | 4 | 2 |
Take the quantum number as the length of each starfish antenna , The top one is m, Clockwise are L,n,n1,L2. Take the integral value as the center in x Position of the shaft .
It's not evenly distributed , stay 0.85-0.98, and 0-0.1 These two sections are densely distributed .
Statistics n==n1&&L==L1 This situation
These patterns only appear in the range with large values on the right side of the image , It shows that this symmetrical structure is more beneficial and overlapping .
It's clear from the picture that
1 | 0.9819 | 5 | 0 | 0 | 5 | 0 |
3 | 0.9769 | 4 | 0 | 0 | 4 | 0 |
6 | 0.9682 | 3 | 0 | 0 | 3 | 0 |
11 | 0.9483 | 2 | 0 | 0 | 2 | 0 |
The location of these groups of data . however
34 | 0.8587098 | 4 | 2 | 0 | 4 | 2 |
35 | 0.8583854 | 1 | 0 | 0 | 1 | 0 |
36 | 0.8571757 | 5 | 3 | 1 | 5 | 3 |
This set of data
0.8583854 | 1 | 0 | 0 | 1 | 0 |
Sandwiched between the two sets of data is not very obvious .
A law that can be used for estimation
|n-n1| | |L-L1| | |
Sab | a | b |
The absolute value of the difference between two principal quantum numbers a And the absolute value of the difference between the two angular quantum numbers b,a and b The smaller it is Sab The bigger it is ,b The bigger it is Sab The smaller it is , When b On equal terms ,a The bigger it is Sab The smaller it is .
192 | -7.35E-04 | 5 | 4 | 0 | 3 | 0 | 2 | 4 | |
193 | -8.52E-04 | 5 | 4 | 0 | 4 | 0 | 1 | 4 |
But not absolutely , For example, these two groups of numbers b All equal to 4. Is, indeed, Sab The absolute value is relatively small , however 192 Of a=2,193 Of a=1, however 193 The absolute value of the value of should be less than 192. So the difference b More valuable .
Sab | N | L | m | N' | L' | a | b | ||
1 | 0.9818691 | 5 | 0 | 0 | 5 | 0 | 0 | 0 | |
2 | 0.9802562 | 5 | 1 | 1 | 5 | 1 | 0 | 0 | |
3 | 0.9768779 | 4 | 0 | 0 | 4 | 0 | 0 | 0 | |
4 | 0.9734079 | 5 | 2 | 2 | 5 | 2 | 0 | 0 | |
5 | 0.9719247 | 4 | 1 | 1 | 4 | 1 | 0 | 0 | |
6 | 0.9681653 | 3 | 0 | 0 | 3 | 0 | 0 | 0 | |
7 | 0.9649196 | 5 | 3 | 3 | 5 | 3 | 0 | 0 | |
8 | 0.9601292 | 4 | 2 | 2 | 4 | 2 | 0 | 0 | |
9 | 0.9557787 | 5 | 4 | 4 | 5 | 4 | 0 | 0 | |
10 | 0.954618 | 3 | 1 | 1 | 3 | 1 | 0 | 0 | |
11 | 0.9483114 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | |
12 | 0.946365 | 4 | 3 | 3 | 4 | 3 | 0 | 0 | |
13 | 0.9412723 | 5 | 1 | 0 | 5 | 1 | 0 | 0 | |
14 | 0.9319613 | 3 | 2 | 2 | 3 | 2 | 0 | 0 | |
15 | 0.9314828 | 5 | 0 | 0 | 4 | 0 | 1 | 0 | |
16 | 0.9278657 | 5 | 1 | 1 | 4 | 1 | 1 | 0 | |
17 | 0.9209985 | 5 | 2 | 1 | 5 | 2 | 0 | 0 | |
18 | 0.9190684 | 5 | 2 | 2 | 4 | 2 | 1 | 0 | |
19 | 0.91674 | 4 | 1 | 0 | 4 | 1 | 0 | 0 | |
20 | 0.9137822 | 4 | 0 | 0 | 3 | 0 | 1 | 0 | |
21 | 0.9087159 | 5 | 3 | 3 | 4 | 3 | 1 | 0 | |
22 | 0.907436 | 2 | 1 | 1 | 2 | 1 | 0 | 0 | |
23 | 0.9047617 | 4 | 1 | 1 | 3 | 1 | 1 | 0 | |
24 | 0.9045495 | 5 | 2 | 0 | 5 | 2 | 0 | 0 | |
25 | 0.8961804 | 5 | 3 | 2 | 5 | 3 | 0 | 0 | |
26 | 0.889093 | 4 | 2 | 2 | 3 | 2 | 1 | 0 | |
27 | 0.88675 | 5 | 1 | 0 | 4 | 1 | 1 | 0 | |
28 | 0.8835967 | 3 | 0 | 0 | 2 | 0 | 1 | 0 | |
29 | 0.8822433 | 4 | 2 | 1 | 4 | 2 | 0 | 0 | |
30 | 0.8697456 | 5 | 4 | 3 | 5 | 4 | 0 | 0 | |
31 | 0.8663269 | 3 | 1 | 0 | 3 | 1 | 0 | 0 | |
32 | 0.8608312 | 5 | 2 | 1 | 4 | 2 | 1 | 0 | |
33 | 0.8597157 | 3 | 1 | 1 | 2 | 1 | 1 | 0 | |
34 | 0.8587098 | 4 | 2 | 0 | 4 | 2 | 0 | 0 | |
35 | 0.8583854 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | |
36 | 0.8571757 | 5 | 3 | 1 | 5 | 3 | 0 | 0 | |
37 | 0.8445121 | 5 | 3 | 0 | 5 | 3 | 0 | 0 | |
38 | 0.84449 | 4 | 1 | 0 | 3 | 1 | 1 | 0 | |
39 | 0.8428137 | 4 | 3 | 2 | 4 | 3 | 0 | 0 | |
40 | 0.8427271 | 5 | 2 | 0 | 4 | 2 | 1 | 0 | |
41 | 0.8307908 | 5 | 3 | 2 | 4 | 3 | 1 | 0 | |
42 | 0.814182 | 2 | 0 | 0 | 1 | 0 | 1 | 0 | |
43 | 0.8123278 | 5 | 4 | 2 | 5 | 4 | 0 | 0 | |
44 | 0.8023275 | 3 | 2 | 1 | 3 | 2 | 0 | 0 | |
45 | 0.7992005 | 4 | 2 | 1 | 3 | 2 | 1 | 0 | |
46 | 0.7871872 | 5 | 3 | 1 | 4 | 3 | 1 | 0 | |
47 | 0.7864445 | 4 | 3 | 1 | 4 | 3 | 0 | 0 | |
48 | 0.7794294 | 5 | 0 | 0 | 3 | 0 | 2 | 0 | |
49 | 0.7793661 | 5 | 4 | 1 | 5 | 4 | 0 | 0 | |
50 | 0.773115 | 5 | 3 | 0 | 4 | 3 | 1 | 0 | |
51 | 0.7728258 | 4 | 2 | 0 | 3 | 2 | 1 | 0 | |
52 | 0.771966 | 5 | 1 | 1 | 3 | 1 | 2 | 0 | |
53 | 0.768617 | 5 | 4 | 0 | 5 | 4 | 0 | 0 | |
54 | 0.7684333 | 4 | 3 | 0 | 4 | 3 | 0 | 0 | |
55 | 0.7672914 | 3 | 2 | 0 | 3 | 2 | 0 | 0 | |
56 | 0.7610889 | 5 | 2 | 2 | 3 | 2 | 2 | 0 | |
57 | 0.7567289 | 3 | 1 | 0 | 2 | 1 | 1 | 0 | |
58 | 0.7384025 | 5 | 1 | 0 | 3 | 1 | 2 | 0 | |
59 | 0.7357589 | 2 | 1 | 0 | 2 | 1 | 0 | 0 | |
60 | 0.7234408 | 4 | 0 | 0 | 2 | 0 | 2 | 0 | |
61 | 0.7074277 | 4 | 1 | 1 | 2 | 1 | 2 | 0 | |
62 | 0.7065499 | 5 | 2 | 1 | 3 | 2 | 2 | 0 | |
63 | 0.6895803 | 5 | 2 | 0 | 3 | 2 | 2 | 0 | |
64 | 0.6583625 | 4 | 1 | 0 | 2 | 1 | 2 | 0 | |
65 | 0.6282019 | 3 | 0 | 0 | 1 | 0 | 2 | 0 | |
66 | 0.5437429 | 5 | 0 | 0 | 2 | 0 | 3 | 0 | |
67 | 0.5319514 | 5 | 1 | 1 | 2 | 1 | 3 | 0 | |
68 | 0.514994 | 5 | 1 | 0 | 2 | 1 | 3 | 0 | |
69 | 0.4345899 | 4 | 0 | 0 | 1 | 0 | 3 | 0 | |
70 | 0.4291927 | 2 | 1 | 0 | 1 | 0 | 1 | 1 | |
71 | 0.4092483 | 5 | 4 | 0 | 4 | 3 | 1 | 1 | |
72 | 0.4023669 | 4 | 3 | 0 | 3 | 2 | 1 | 1 | |
73 | 0.400623 | 5 | 4 | 1 | 4 | 3 | 1 | 1 | |
74 | 0.3877988 | 4 | 3 | 1 | 3 | 2 | 1 | 1 | |
75 | 0.3873047 | 3 | 2 | 0 | 2 | 1 | 1 | 1 | |
76 | 0.3704592 | 3 | 2 | 1 | 2 | 1 | 1 | 1 | |
77 | 0.3703952 | 5 | 4 | 2 | 4 | 3 | 1 | 1 | |
78 | 0.3573069 | 5 | 4 | 0 | 5 | 3 | 0 | 1 | |
79 | 0.3546392 | 5 | 3 | 0 | 3 | 2 | 2 | 1 | |
80 | 0.3489421 | 5 | 4 | 1 | 5 | 3 | 0 | 1 | |
81 | 0.3403041 | 3 | 1 | 0 | 1 | 0 | 2 | 1 | |
82 | 0.3401222 | 5 | 3 | 0 | 4 | 2 | 1 | 1 | |
83 | 0.3399583 | 5 | 3 | 1 | 3 | 2 | 2 | 1 | |
84 | 0.3381624 | 4 | 3 | 0 | 4 | 2 | 0 | 1 | |
85 | 0.3334882 | 4 | 2 | 0 | 2 | 1 | 2 | 1 | |
86 | 0.3294981 | 4 | 3 | 2 | 3 | 2 | 1 | 1 | |
87 | 0.324964 | 5 | 3 | 1 | 4 | 2 | 1 | 1 | |
88 | 0.3240519 | 4 | 3 | 1 | 4 | 2 | 0 | 1 | |
89 | 0.3202759 | 5 | 4 | 2 | 5 | 3 | 0 | 1 | |
90 | 0.3141428 | 4 | 2 | 0 | 3 | 1 | 1 | 1 | |
91 | 0.3077319 | 4 | 2 | 1 | 2 | 1 | 2 | 1 | |
92 | 0.3063677 | 3 | 2 | 0 | 3 | 1 | 0 | 1 | |
93 | 0.2998824 | 3 | 1 | 0 | 2 | 0 | 1 | 1 | |
94 | 0.2992669 | 5 | 4 | 3 | 4 | 3 | 1 | 1 | |
95 | 0.2852467 | 4 | 2 | 1 | 3 | 1 | 1 | 1 | |
96 | 0.2846481 | 5 | 2 | 0 | 3 | 1 | 2 | 1 | |
97 | 0.2832251 | 5 | 3 | 2 | 3 | 2 | 2 | 1 | |
98 | 0.2830094 | 5 | 3 | 0 | 5 | 2 | 0 | 1 | |
99 | 0.2815132 | 3 | 2 | 1 | 3 | 1 | 0 | 1 | |
100 | 0.2813302 | 5 | 0 | 0 | 1 | 0 | 4 | 0 | |
101 | 0.2761139 | 2 | 1 | 0 | 2 | 0 | 0 | 1 | |
102 | 0.2709401 | 4 | 1 | 0 | 2 | 0 | 2 | 1 | |
103 | 0.2696303 | 4 | 3 | 2 | 4 | 2 | 0 | 1 | |
104 | 0.2695622 | 5 | 3 | 1 | 5 | 2 | 0 | 1 | |
105 | 0.2677672 | 5 | 3 | 2 | 4 | 2 | 1 | 1 | |
106 | 0.2582365 | 5 | 2 | 0 | 2 | 1 | 3 | 1 | |
107 | 0.2570147 | 5 | 2 | 0 | 4 | 1 | 1 | 1 | |
108 | 0.2555019 | 5 | 4 | 3 | 5 | 3 | 0 | 1 | |
109 | 0.255456 | 5 | 2 | 1 | 3 | 1 | 2 | 1 | |
110 | 0.2426919 | 4 | 2 | 0 | 4 | 1 | 0 | 1 | |
111 | 0.2381457 | 4 | 1 | 0 | 1 | 0 | 3 | 1 | |
112 | 0.2325447 | 5 | 2 | 1 | 2 | 1 | 3 | 1 | |
113 | 0.2290848 | 5 | 2 | 1 | 4 | 1 | 1 | 1 | |
114 | 0.2240867 | 4 | 1 | 0 | 3 | 0 | 1 | 1 | |
115 | 0.2214044 | 5 | 1 | 0 | 3 | 0 | 2 | 1 | |
116 | 0.2198889 | 5 | 3 | 2 | 5 | 2 | 0 | 1 | |
117 | 0.2177084 | 5 | 1 | 0 | 2 | 0 | 3 | 1 | |
118 | 0.216849 | 4 | 2 | 1 | 4 | 1 | 0 | 1 | |
119 | 0.1984773 | 5 | 2 | 0 | 5 | 1 | 0 | 1 | |
120 | 0.188661 | 3 | 1 | 0 | 3 | 0 | 0 | 1 | |
121 | 0.1783527 | 5 | 1 | 0 | 4 | 0 | 1 | 1 | |
122 | 0.1753695 | 5 | 2 | 1 | 5 | 1 | 0 | 1 | |
123 | 0.1548694 | 5 | 1 | 0 | 1 | 0 | 4 | 1 | |
124 | 0.1423177 | 4 | 1 | 0 | 4 | 0 | 0 | 1 | |
125 | 0.121394 | 3 | 2 | 0 | 1 | 0 | 2 | 2 | |
126 | 0.1142063 | 5 | 1 | 0 | 5 | 0 | 0 | 1 | |
127 | 0.1103289 | 5 | 4 | 0 | 3 | 2 | 2 | 2 | |
128 | 0.1086359 | 4 | 3 | 0 | 2 | 1 | 2 | 2 | |
129 | 0.102216 | 5 | 4 | 1 | 3 | 2 | 2 | 2 | |
130 | 0.0946711 | 4 | 3 | 1 | 2 | 1 | 2 | 2 | |
131 | 0.0818823 | 4 | 2 | 0 | 1 | 0 | 3 | 2 | |
132 | 0.0818377 | 5 | 3 | 0 | 2 | 1 | 3 | 2 | |
133 | 0.0797483 | 5 | 4 | 0 | 4 | 2 | 1 | 2 | |
134 | 0.0757918 | 5 | 4 | 2 | 3 | 2 | 2 | 2 | |
135 | 0.0735837 | 5 | 4 | 1 | 4 | 2 | 1 | 2 | |
136 | 0.0697196 | 5 | 3 | 1 | 2 | 1 | 3 | 2 | |
137 | 0.069181 | 4 | 3 | 0 | 3 | 1 | 1 | 2 | |
138 | 0.0648887 | 5 | 3 | 0 | 3 | 1 | 2 | 2 | |
139 | 0.0586271 | 4 | 3 | 1 | 3 | 1 | 1 | 2 | |
140 | 0.0553025 | 4 | 2 | 0 | 2 | 0 | 2 | 2 | |
141 | 0.0546502 | 5 | 3 | 1 | 3 | 1 | 2 | 2 | |
142 | 0.0537932 | 5 | 4 | 2 | 4 | 2 | 1 | 2 | |
143 | 0.0533995 | 3 | 2 | 0 | 2 | 0 | 1 | 2 | |
144 | 0.0514612 | 5 | 2 | 0 | 1 | 0 | 4 | 2 | |
145 | 0.0482198 | 5 | 2 | 0 | 5 | 4 | 0 | -2 | |
146 | 0.0482198 | 5 | 4 | 0 | 5 | 2 | 0 | 2 | |
147 | 0.0478038 | 5 | 2 | 0 | 2 | 0 | 3 | 2 | |
148 | 0.0443232 | 5 | 2 | 1 | 5 | 4 | 0 | -2 | |
149 | 0.0443232 | 5 | 4 | 1 | 5 | 2 | 0 | 2 | |
150 | 0.0395916 | 5 | 3 | 0 | 4 | 1 | 1 | 2 | |
151 | 0.0372991 | 5 | 0 | 0 | 2 | 1 | 3 | -1 | |
152 | 0.0329164 | 5 | 3 | 1 | 4 | 1 | 1 | 2 | |
153 | 0.0321154 | 4 | 1 | 0 | 4 | 3 | 0 | -2 | |
154 | 0.0321154 | 4 | 3 | 0 | 4 | 1 | 0 | 2 | |
155 | 0.0319984 | 5 | 2 | 2 | 5 | 4 | 0 | -2 | |
156 | 0.0319984 | 5 | 4 | 2 | 5 | 2 | 0 | 2 | |
157 | 0.0285431 | 5 | 2 | 0 | 3 | 0 | 2 | 2 | |
158 | 0.0264475 | 4 | 1 | 1 | 4 | 3 | 0 | -2 | |
159 | 0.0264475 | 4 | 3 | 1 | 4 | 1 | 0 | 2 | |
160 | 0.0255921 | 4 | 3 | 0 | 1 | 0 | 3 | 3 | |
161 | 0.0220049 | 5 | 4 | 0 | 2 | 1 | 3 | 3 | |
162 | 0.0201704 | 4 | 2 | 0 | 3 | 0 | 1 | 2 | |
163 | 0.0182601 | 5 | 4 | 1 | 2 | 1 | 3 | 3 | |
164 | 0.0175271 | 5 | 1 | 0 | 5 | 3 | 0 | -2 | |
165 | 0.0175271 | 5 | 3 | 0 | 5 | 1 | 0 | 2 | |
166 | 0.0149747 | 5 | 3 | 0 | 1 | 0 | 4 | 3 | |
167 | 0.0142943 | 5 | 1 | 1 | 5 | 3 | 0 | -2 | |
168 | 0.0142943 | 5 | 3 | 1 | 5 | 1 | 0 | 2 | |
169 | 0.0114732 | 5 | 4 | 0 | 3 | 1 | 2 | 3 | |
170 | 0.0093107 | 5 | 4 | 1 | 3 | 1 | 2 | 3 | |
171 | 0.0081298 | 5 | 1 | 0 | 4 | 3 | 1 | -2 | |
172 | 0.0080881 | 5 | 2 | 0 | 4 | 0 | 1 | 2 | |
173 | 0.0077874 | 5 | 3 | 0 | 2 | 0 | 3 | 3 | |
174 | 0.0075386 | 4 | 3 | 0 | 2 | 0 | 2 | 3 | |
175 | 0.0062556 | 5 | 1 | 1 | 4 | 3 | 1 | -2 | |
176 | 0.0048457 | 4 | 0 | 0 | 4 | 3 | 0 | -3 | |
177 | 0.0043698 | 5 | 4 | 0 | 1 | 0 | 4 | 4 | |
178 | 0.0037823 | 5 | 0 | 0 | 4 | 3 | 1 | -3 | |
179 | 0.003656 | 3 | 0 | 0 | 3 | 2 | 0 | -2 | |
180 | 0.003656 | 3 | 2 | 0 | 3 | 0 | 0 | 2 | |
181 | 0.0035649 | 5 | 4 | 0 | 4 | 1 | 1 | 3 | |
182 | 0.0031733 | 5 | 0 | 0 | 5 | 3 | 0 | -3 | |
183 | 0.0027998 | 5 | 4 | 1 | 4 | 1 | 1 | 3 | |
184 | 8.80E-04 | 5 | 3 | 0 | 3 | 0 | 2 | 3 | |
185 | 8.11E-04 | 5 | 4 | 0 | 2 | 0 | 3 | 4 | |
186 | 4.48E-04 | 5 | 1 | 0 | 5 | 4 | 0 | -3 | |
187 | 4.27E-04 | 5 | 1 | 1 | 5 | 4 | 0 | -3 | |
188 | -4.27E-04 | 5 | 4 | 1 | 5 | 1 | 0 | 3 | |
189 | -4.48E-04 | 5 | 4 | 0 | 5 | 1 | 0 | 3 | |
190 | -5.09E-04 | 5 | 0 | 0 | 5 | 4 | 0 | -4 | |
191 | -5.09E-04 | 5 | 4 | 0 | 5 | 0 | 0 | 4 | |
192 | -7.35E-04 | 5 | 4 | 0 | 3 | 0 | 2 | 4 | |
193 | -8.52E-04 | 5 | 4 | 0 | 4 | 0 | 1 | 4 | |
194 | -0.002477 | 4 | 3 | 0 | 3 | 0 | 1 | 3 | |
195 | -0.002569 | 5 | 3 | 0 | 4 | 0 | 1 | 3 | |
196 | -0.003173 | 5 | 3 | 0 | 5 | 0 | 0 | 3 | |
197 | -0.003952 | 4 | 0 | 0 | 4 | 2 | 0 | -2 | |
198 | -0.003952 | 4 | 2 | 0 | 4 | 0 | 0 | 2 | |
199 | -0.004846 | 4 | 3 | 0 | 4 | 0 | 0 | 3 | |
200 | -0.005198 | 5 | 0 | 0 | 3 | 1 | 2 | -1 | |
201 | -0.005937 | 5 | 0 | 0 | 5 | 2 | 0 | -2 | |
202 | -0.005937 | 5 | 2 | 0 | 5 | 0 | 0 | 2 | |
203 | -0.010463 | 4 | 0 | 0 | 2 | 1 | 2 | -1 | |
204 | -0.01447 | 5 | 0 | 0 | 4 | 2 | 1 | -2 | |
205 | -0.01696 | 4 | 0 | 0 | 3 | 2 | 1 | -2 | |
206 | -0.019512 | 5 | 0 | 0 | 3 | 2 | 2 | -2 | |
207 | -0.062508 | 5 | 0 | 0 | 4 | 1 | 1 | -1 | |
208 | -0.080462 | 4 | 0 | 0 | 3 | 1 | 1 | -1 | |
209 | -0.088896 | 5 | 1 | 1 | 3 | 2 | 2 | -1 | |
210 | -0.103246 | 5 | 1 | 0 | 3 | 2 | 2 | -1 | |
211 | -0.113749 | 3 | 0 | 0 | 2 | 1 | 1 | -1 | |
212 | -0.114206 | 5 | 0 | 0 | 5 | 1 | 0 | -1 | |
213 | -0.139454 | 5 | 1 | 1 | 4 | 2 | 1 | -1 | |
214 | -0.142318 | 4 | 0 | 0 | 4 | 1 | 0 | -1 | |
215 | -0.15871 | 5 | 1 | 0 | 4 | 2 | 1 | -1 | |
216 | -0.174833 | 4 | 1 | 1 | 3 | 2 | 1 | -1 | |
217 | -0.175369 | 5 | 1 | 1 | 5 | 2 | 0 | -1 | |
218 | -0.188661 | 3 | 0 | 0 | 3 | 1 | 0 | -1 | |
219 | -0.192646 | 5 | 2 | 2 | 4 | 3 | 1 | -1 | |
220 | -0.196561 | 4 | 1 | 0 | 3 | 2 | 1 | -1 | |
221 | -0.198477 | 5 | 1 | 0 | 5 | 2 | 0 | -1 | |
222 | -0.216849 | 4 | 1 | 1 | 4 | 2 | 0 | -1 | |
223 | -0.219889 | 5 | 2 | 2 | 5 | 3 | 0 | -1 | |
224 | -0.235489 | 5 | 2 | 1 | 4 | 3 | 1 | -1 | |
225 | -0.242692 | 4 | 1 | 0 | 4 | 2 | 0 | -1 | |
226 | -0.24698 | 5 | 2 | 0 | 4 | 3 | 1 | -1 | |
227 | -0.255502 | 5 | 3 | 3 | 5 | 4 | 0 | -1 | |
228 | -0.269562 | 5 | 2 | 1 | 5 | 3 | 0 | -1 | |
229 | -0.26963 | 4 | 2 | 2 | 4 | 3 | 0 | -1 | |
230 | -0.276114 | 2 | 0 | 0 | 2 | 1 | 0 | -1 | |
231 | -0.281513 | 3 | 1 | 1 | 3 | 2 | 0 | -1 | |
232 | -0.283009 | 5 | 2 | 0 | 5 | 3 | 0 | -1 | |
233 | -0.306368 | 3 | 1 | 0 | 3 | 2 | 0 | -1 | |
234 | -0.320276 | 5 | 3 | 2 | 5 | 4 | 0 | -1 | |
235 | -0.324052 | 4 | 2 | 1 | 4 | 3 | 0 | -1 | |
236 | -0.338162 | 4 | 2 | 0 | 4 | 3 | 0 | -1 | |
237 | -0.348942 | 5 | 3 | 1 | 5 | 4 | 0 | -1 | |
238 | -0.357307 | 5 | 3 | 0 | 5 | 4 | 0 | -1 |
《 Quantum chemistry 》 Xu Guangxian p545
SIDI MOHAMED MEKELLECHE, ABDELLATIF BABA-AHMED
Calculation of the One-Electron Two-Center Integrals Over Slater-Type Orbitals by Means of the Ellipsoidal Coordinates Method (1996)
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