Atom

# Electronic Structure of 118 Atoms for the HP-41

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: /

-Some elements don't follow the simplest rule to fill the atomic orbitals,
and lines 37 to 128 deal with these exceptions.
-The "append" character is denoted  ~
-Line 175 = one space.

 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   38  ST+ X    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

( 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"  and  the HP-41 displays:

1S2
2S2 2P6
3S2 3P6 3D10
4S2 4P6 4D5
5S2

-The electronic structure is usually denoted:    1s22s22p63s23p63d104s24p64d55s2

78    R/S   yields

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
but 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:

[1]  "Periodic Table of the Elements" - Los Alamos National Laboratory -  cf   www.lanl.gov