From 374cb2c8956d1d65213d3c3fe8728eaaf2070de8 Mon Sep 17 00:00:00 2001 From: q-posev Date: Fri, 25 Jun 2021 14:15:50 +0200 Subject: [PATCH] fix links in trex.org after renaming some sections --- trex.org | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/trex.org b/trex.org index 8530d87..829ade4 100644 --- a/trex.org +++ b/trex.org @@ -348,7 +348,7 @@ prim_factor = (\mathbf{r}) dx\, dy\, dz \right]^{-1/2}. \] 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. The normalization factor of the $xy$ function which should be introduced here should be $\frac{\mathcal{N}_{xy}}{\mathcal{N}_{z^2}}$. @@ -375,7 +375,7 @@ prim_factor = #+end_src :end: -** One-electron integrals (ao_1e_int group) +** One-electron integrals (~ao_1e_int~ group) :PROPERTIES: :CUSTOM_ID: ao_one_e :END: @@ -418,7 +418,7 @@ prim_factor = #+end_src :end: -** Two-electron integrals (ao_2e_int group) +** Two-electron integrals (~ao_2e_int~ group) :PROPERTIES: :CUSTOM_ID: ao_two_e :END: @@ -484,7 +484,7 @@ prim_factor = #+end_src :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 [[#ao_one_e][AO one-electron integrals section]]. Here, the integrals are given in @@ -516,10 +516,10 @@ prim_factor = #+end_src :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 - [[#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. #+NAME: mo_2e_int