Skip to content

Commit 4187c91

Browse files
committed
Resize Project 9 eqns
1 parent e0986fb commit 4187c91

File tree

1 file changed

+4
-4
lines changed

1 file changed

+4
-4
lines changed

Project#09/README.md

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -15,7 +15,7 @@ for the purposes of this project we'll deal only with the one-electron (two-inde
1515

1616
The vanishing integral rule of point-group theory may be stated as follows for Abelian groups:
1717

18-
<img src="./figures/point-group-rule.png" height="20">
18+
<img src="./figures/point-group-rule.png" height="40">
1919

2020
where <html>&Gamma;<sub>X</sub></html> denotes the irreducible representation (irrep) of entity X.
2121
That is, unless the direct product of the irreps of the functions or operators in the integrand contains the totally symmetric irrep, the integral must be zero.
@@ -146,7 +146,7 @@ in the full list of orbitals; the first number is the relative index, the second
146146
If we store the integral, MO coefficient, density, and Fock matrices in the block-diagonal structure described above,
147147
we may compute matrix products of these quantities separately for each diagonal block. For example, the matrix product may be written as:
148148
149-
<img src="http://github.com/figures/matrix-product.png" height="25">
149+
<img src="http://github.com/figures/matrix-product.png" height="50">
150150
151151
where *h* denotes a particular irrep of the point group and <b><i>C</i></b><sub>h</sub> denotes the *h*-th irrep subblock of the full matrix <b><i>C</i></b>.
152152
(The notation of the large plus with a circle around it indicates a direct sum.)
@@ -155,7 +155,7 @@ where *h* denotes a particular irrep of the point group and <b><i>C</i></b><sub>
155155
156156
The calculation of the density matrix requires information about the number of occupied orbitals:
157157
158-
<img src="http://github.com/figures/density-matrix.png" height="25">
158+
<img src="http://github.com/figures/density-matrix.png" height="50">
159159
160160
In a calculation without symmetry, one need only know the number of electrons (equivalently, the atomic numbers of the atoms and the overall molecular charge)
161161
to evaluate this expression. However, if the density and MO coefficient matrices are stored in symmetry-blocked form,
@@ -187,7 +187,7 @@ sophisticated guesses at the Fock matrix, e.g. Hueckel orbitals or other (semi)e
187187
188188
The only portion of the SCF procedure involving two-electron integrals is the Fock-matrix build:
189189
190-
<img src="http://github.com/figures/fock-build.png" height="30">
190+
<img src="http://github.com/figures/fock-build.png" height="60">
191191
192192
where the notation used in [Project #3](../Project%2303) is retained above.
193193
If the Fock matrix and density matrix are stored in a symmetry-blocked manner similar to the overlap matrix above,

0 commit comments

Comments
 (0)