| ground_state {ch} | R Documentation |
Ground-State spectral term
Description
Use such a function to calculate the spectral term, and it can show the number of the spectral term.
Usage
ground_state(x)
state_1(l, n)
state_2(x)
Arguments
x |
'p2','p3','d2','d5','f2',... |
l |
the l:0,1,2,3,4,5,... |
n |
the number of electrons. |
Value
It is a display of the results of the calculation of the spectral term. For more explanation, please refer to the structural chemistry. The ground_state() function will tell you the ground state that spectral term of equal electrons. The state_1() and state_2() will tell you the spectral term of equal electrons.
Author(s)
Chai
References
The method of state_1() and state_2() function is from: DOI:10.14159/j.cnki.0441-3776.1985.11.020 And the url is: https://t.cnki.net/kcms/detail?v=3uoqIhG8C44YLTlOAiTRKqd0WnNPv0wTDjtDUwHroNz8ZoQZVLjnVKa9t-3R3F8t9DSW1fOAkwcAF8JZi9EnOU8ccrbY3bNC&uniplatform=NZKPT You can get more details from this essay.
Examples
ground_state("p2")
ground_state("f3")
state_2("p2")
state_2("d3")