Difference between revisions of "Program Notes"
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==Energy & Wave Function Files== | ==Energy & Wave Function Files== | ||
| − | There are 3 types of files in which the information is stored: 2 are Wave function files (.POW for infinite mass, .POL for finite mass) while .MAT files store energy information. | + | There are 3 types of files in which the information is stored: 2 are Wave function files (.POW for infinite mass, .POL for finite mass) while .MAT files store energy information and the expectation values for a large variety of operators. |
In order to decipher the information stored in these files refer to Busuttil & Drake 2008 ([[File:Busuttil_&_Drake_2008_-_PSAS.pdf]]) as presented at the International Conference on Precision Physics of Simple Atomic Systems (PSAS) in 2008. | In order to decipher the information stored in these files refer to Busuttil & Drake 2008 ([[File:Busuttil_&_Drake_2008_-_PSAS.pdf]]) as presented at the International Conference on Precision Physics of Simple Atomic Systems (PSAS) in 2008. | ||
| − | An example of how these wave functions can be used is in calculating | + | An example of how these wave functions can be used is in calculating expectation values. Included below is a program written in FORTRAN 77 which calculates expectation values for various operators called MATL. The quantities calculated are <1/r<sub>1</sub><sup>2</sup>>, <1/r<sub>1</sub>>, <r<sub>1</sub>>, <r<sub>1</sub><sup>2</sup>>, <1/r<sub>12</sub><sup>2</sup>>, <1/r<sub>12</sub>>, <r<sub>12</sub>>, <r<sub>12</sub><sup>2</sup>>, <<b>r<sub>1</sub>•r<sub>2</sub></b>>, <1/r<sub>1</sub>r<sub>12</sub>>, and <1/r<sub>1</sub>r<sub>2</sub>>. |
Download MATL package: [[File:Matl.zip]] | Download MATL package: [[File:Matl.zip]] | ||
Latest revision as of 04:29, 14 September 2021
Energy & Wave Function Files
There are 3 types of files in which the information is stored: 2 are Wave function files (.POW for infinite mass, .POL for finite mass) while .MAT files store energy information and the expectation values for a large variety of operators.
In order to decipher the information stored in these files refer to Busuttil & Drake 2008 (File:Busuttil & Drake 2008 - PSAS.pdf) as presented at the International Conference on Precision Physics of Simple Atomic Systems (PSAS) in 2008.
An example of how these wave functions can be used is in calculating expectation values. Included below is a program written in FORTRAN 77 which calculates expectation values for various operators called MATL. The quantities calculated are <1/r12>, <1/r1>, <r1>, <r12>, <1/r122>, <1/r12>, <r12>, <r122>, <r1•r2>, <1/r1r12>, and <1/r1r2>.
Download MATL package: File:Matl.zip
