orbital_symbols Module Reference

orbital_symbols More...

Functions/Subroutines
character(len=12) function, public	cgf_symbol (n, lxyz)
	Build a Cartesian orbital symbol (orbital labels for printing).
character(len=6) function, public	sgf_symbol (n, l, m)
	Build a spherical orbital symbol (orbital labels for printing).

Variables
character(len=1), dimension(0:11), parameter, public	l_sym = ["s", "p", "d", "f", "g", "h", "i", "j", "k", "l", "m", "n"]

Detailed Description

orbital_symbols

History

none

Author

Matthias Krack (08.06.2000)

Function/Subroutine Documentation

cgf_symbol()

character(len=12) function, public orbital_symbols::cgf_symbol	(	integer, intent(in)	n,
		integer, dimension(3), intent(in)	lxyz
	)

Build a Cartesian orbital symbol (orbital labels for printing).

Parameters

n	...
lxyz	...

Returns

...

Date

07.07.99

Author

Matthias Krack

Version

1.0

Definition at line 43 of file orbital_symbols.F.

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sgf_symbol()

character(len=6) function, public orbital_symbols::sgf_symbol	(	integer, intent(in)	n,
		integer, intent(in)	l,
		integer, intent(in)	m
	)

Build a spherical orbital symbol (orbital labels for printing).

Parameters

n	...
l	...
m	...

Returns

...

Date

11.03.99

Variables

• l: Angular momentum quantum number l of the orbital.
• m: Magnetic quantum number m of the orbital.
• n: Principle quantum number n of the orbital.

History

• Ignore n value for n = 0 (16.02.2009,MK)

Author

Matthias Krack

Version

1.0

Definition at line 106 of file orbital_symbols.F.

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Variable Documentation

l_sym

character(len=1), dimension(0:11), parameter, public orbital_symbols::l_sym = ["s", "p", "d", "f", "g", "h", "i", "j", "k", "l", "m", "n"]

Definition at line 24 of file orbital_symbols.F.