TREX/trexio
1
0
Fork 0
mirror of https://github.com/TREX-CoE/trexio.git synced 2024-11-03 20:54:07 +01:00
Code Issues Projects Releases Wiki Activity

fix links in trex.org after renaming some sections

Browse Source
This commit is contained in:
q-posev 2021-06-25 14:15:50 +02:00
parent 98f2bfe067
commit 374cb2c895
1 changed files with 6 additions and 6 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

12
trex.org
View File

@ -348,7 +348,7 @@ prim_factor =
(\mathbf{r}) dx\, dy\, dz \right]^{-1/2}. \] (\mathbf{r}) dx\, dy\, dz \right]^{-1/2}. \]
In such a case, one should set the normalization of the shell (in In such a case, one should set the normalization of the shell (in
the [[Basis set][Basis set]] section) to $\mathcal{N}_{z^2}$, which is the the [[Basis set (basis group)][Basis set]] section) to $\mathcal{N}_{z^2}$, which is the
normalization factor of the atomic orbitals in spherical coordinates. normalization factor of the atomic orbitals in spherical coordinates.
The normalization factor of the $xy$ function which should be The normalization factor of the $xy$ function which should be
introduced here should be $\frac{\mathcal{N}_{xy}}{\mathcal{N}_{z^2}}$. introduced here should be $\frac{\mathcal{N}_{xy}}{\mathcal{N}_{z^2}}$.
@ -375,7 +375,7 @@ prim_factor =
#+end_src #+end_src
:end: :end:
** One-electron integrals (ao_1e_int group) ** One-electron integrals (~ao_1e_int~ group)
:PROPERTIES: :PROPERTIES:
:CUSTOM_ID: ao_one_e :CUSTOM_ID: ao_one_e
:END: :END:
@ -418,7 +418,7 @@ prim_factor =
#+end_src #+end_src
:end: :end:
** Two-electron integrals (ao_2e_int group) ** Two-electron integrals (~ao_2e_int~ group)
:PROPERTIES: :PROPERTIES:
:CUSTOM_ID: ao_two_e :CUSTOM_ID: ao_two_e
:END: :END:
@ -484,7 +484,7 @@ prim_factor =
#+end_src #+end_src
:end: :end:
** One-electron integrals (mo_1e_int group) ** One-electron integrals (~mo_1e_int~ group)
The operators as the same as those defined in the The operators as the same as those defined in the
[[#ao_one_e][AO one-electron integrals section]]. Here, the integrals are given in [[#ao_one_e][AO one-electron integrals section]]. Here, the integrals are given in
@ -516,10 +516,10 @@ prim_factor =
#+end_src #+end_src
:end: :end:
** Two-electron integrals (mo_2e_int group) ** Two-electron integrals (~mo_2e_int~ group)
The operators as the same as those defined in the The operators as the same as those defined in the
[[#ao_one_e][AO one-electron integrals section]]. Here, the integrals are given in [[#ao_two_e][AO two-electron integrals section]]. Here, the integrals are given in
the basis of molecular orbitals. the basis of molecular orbitals.
#+NAME: mo_2e_int #+NAME: mo_2e_int