The Museum of HP Calculators

Electronic Structure of 118 Atoms for the HP-41

This program is supplied without representation or warranty of any kind. Jean-Marc Baillard and The Museum of HP Calculators therefore assume no responsibility and shall have no liability, consequential or otherwise, of any kind arising from the use of this program material or any part thereof.

Overview

-Given the atomic number Z , the following program displays the electronic configuration of 118 elements
from Z = 1 ( Hydrogen ) to Z = 118 ( Ununoctium )

Program Listing

Data Registers: R00 = Z = Atomic Number Registers R01 thru R19 contain the number of electrons in each atomic orbital.

                                R01 = 1s       R06 = 4s      R11 = 5p      R16 = 7s                   the atomic orbitals are sorted from the lowest energy ( 1s )
                                R02 = 2s       R07 = 3d      R12 = 6s      R17 = 5f                   to the highest energy ( 7p if Z < 119 )
                                R03 = 2p      R08 = 4p      R13 = 4f       R18 = 6d                  For Z = 118, these 19 orbitals are filled.
                                R04 = 3s       R09 = 5s      R14 = 5d      R19 = 7p
                                R05 = 3p      R10 = 4d      R15 = 6p                            R20 & R21: temp
Flag: F29
Subroutines: /

01 LBL "ATOM"
02 STO 00
03 2
04 STO 01
05 STO 02
06 STO 04
07 STO 06
08 STO 09
09 STO 12
10 STO 16
11 6
12 STO 03
13 STO 05
14 STO 08
15 STO 11
16 STO 15
17 7
18 STO 19
19 10
20 STO 07
21 STO 10
22 STO 14
23 STO 18
24 14
25 STO 13
26 STO 17
27 119
28 RCL 00
29 -
30 19
31 LBL 01
32 DSE IND X
33 X=0?
34 DSE X
35 DSE Y
36 GTO 01
37 RCL 00                                            Some elements don't follow the simplest rule to fill the atomic orbitals
38 ST+ X                                              and lines 37 to 128 deal with these exceptions.
39 53
40 -
41 5
42 /
43 X^2
44 1
45 X#Y?
46 CLX
47 ST- 06
48 ST+ 07
49 RCL 00
50 46
51 /
52 1
53 X#Y?
54 CLX
55 ST- 09
56 ST+ 10
57 43
58 RCL 00
59 X=Y?
60 GTO 10
61 44
62 -
63 3
64 /
65 X^2
66 1
67 X<Y?
68 CLX
69 ST- 09
70 ST+ 10
71 RCL 00
72 58
73 X=Y?
74 GTO 02
75 DSE X
76 X=Y?
77 GTO 02
78 7
79 +
80 X#Y?
81 GTO 03
82 LBL 02
83 SIGN
84 ST- 13
85 ST+ 14
86 LBL 03
87 RCL 00
88 ST+ X
89 157
90 -
91 X^2
92 1
93 X#Y?
94 CLX
95 ST- 12
96 ST+ 14
97 RCL 00
98 91
99 -
100 2
101 /
102 X^2
103 1
104 X<Y?
105 CLX
106 ST- 17
107 ST+ 18
108 RCL 00
109 93
110 -
111 3
112 /
113 X^2
114 1
115 X#Y?
116 CLX
117 ST- 17
118 ST+ 18
119 RCL 00
120 ST+ X
121 221
122 -
123 X^2
124 1
125 X#Y?
126 CLX
127 ST- 16
128 ST+ 18
129 LBL 10
130 CLX
131 STO 20
132 FIX 0
133 CF 29
134 RCL 01
135 XEQ 02
136 CLST
137 RCL 03
138 RCL 02
139 XEQ 02
140 CLST
141 RCL 07
142 RCL 05
143 RCL 04
144 XEQ 02
145 RCL 13
146 RCL 10
147 RCL 08
148 RCL 06
149 XEQ 02
150 RCL 17
151 RCL 14
152 RCL 11
153 RCL 09
154 XEQ 02
155 CLST
156 RCL 18
157 RCL 15
158 RCL 12
159 XEQ 02
160 CLST
161 RCL 19
162 RCL 16
163 XEQ 02
164 GTO 03
165 LBL 02
166 X=0?
167 RTN
168 XEQ 02
169 AVIEW
170 COS
171 COS
172 COS
173 RTN
174 LBL 02
175 " "                   ( one space )
176 ISG 20
177 CLX
178 ARCL 20
179 ASTO 21
180 "~S"               ( append S )
181 ARCL X
182 RDN
183 X=0?
184 RTN
185 ARCL 21
186 "~P"               ( append P )
187 ARCL X
188 RDN
189 X=0?
190 RTN
191 ARCL 21
192 "~D"               ( append D )
193 ARCL X
194 RDN
195 X=0?
196 RTN
197 ARCL 21
198 "~F"               ( append F )
199 ARCL X
200 RTN
201 LBL 03
202 FIX 4
203 SF 29
204 CLA
205 END

( 307 bytes / SIZE 022 )

STACK INPUT OUTPUT

X Z = atomic number /

( with 0 < Z < 119 )

Examples: Z = 43 ( Technetium ) , Z = 78 ( Platinium )

   43 XEQ "ATOM" >>>> the HP-41 displays   1S2
                                                                             2S2 2P6
                                                                             3S2 3P6 3D10
                                                                             4S2 4P6 4D5
                                                                             5S2

-The electronic structure is usually denoted: 1s²2s²2p⁶3s²3p⁶3d¹⁰4s²4p⁶4d⁵5s²

     78     R/S   >>>>    1S2
                                    2S2 2P6
                                    3S2 3P6 3D10
                                    4S2 4P6 4D10 4F14
                                    5S2 5P6 5D9
                                    6S1

-And the electronic structure is: 1s²2s²2p⁶3s²3p⁶3d¹⁰4s²4p⁶4d¹⁰4f¹⁴5s²5p⁶5d⁹6s¹

Notes:

-Execution times vary between 6 seconds ( for Z = 118 ) to 30 seconds ( for Z = 1 )
-The structure is displayed layer after layer.
-Lines 170-171-172 are only useful to slow down execution between 2 AVIEWs
-Press XEQ 10 to display the configuration again.
-Set flag F21 if you want to stop the calculator at each AVIEW

-For Z = 58 ( Cerium ) this program yields 1s²2s²2p⁶3s²3p⁶3d¹⁰4s²4p⁶4d¹⁰4f¹5s²5p⁶5d¹6s² both configurations have
another source gives 1s²2s²2p⁶3s²3p⁶3d¹⁰4s²4p⁶4d¹⁰4f²5s²5p⁶6s² almost the same energy!

if you prefer the second structure, replace lines 71 thru 86 by

RCL 00 ST+ X 121 - 7 / X^2 1 X#Y? CLX ST- 13 ST+ 14

-For Z = 111 ( Roentgenium ),
this program gives 1s²2s²2p⁶3s²3p⁶3d¹⁰4s²4p⁶4d¹⁰4f¹⁴5s²5p⁶5d¹⁰5f¹⁴6s²6p⁶6d¹⁰7s¹ ( it seems to be the most probable structure )
but it could be also 1s²2s²2p⁶3s²3p⁶3d¹⁰4s²4p⁶4d¹⁰4f¹⁴5s²5p⁶5d¹⁰5f¹⁴6s²6p⁶6d⁹7s²

if you want to get this output, replace lines 119 thru 123 by RCL 00 110 /

Reference: "Periodic Table of the Elements" - Los Alamos National Laboratory - cf www.lanl.gov

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