dorsal/arxiv
View SchemaEfficient implementation of the Projection Operator Imaginary Time Spectral Evolution (POITSE) method for excited states
| Authors | Patrick Huang, Alexandra Viel, K. Birgitta Whaley |
|---|---|
| Categories | |
| ArXiv ID | physics/0203012 |
| URL | https://arxiv.org/abs/physics/0203012 |
| Journal | P. Huang, A. Viel, and K. B. Whaley, in "Recent Advances in Quantum Monte Carlo Methods, Part II", edited by W. A. Lester, Jr., S. M. Rothstein, and S. Tanaka (World Scientific, Singapore, 2002), p. 111 |
Abstract
We describe and systematically analyze new implementations of the Projection Operator Imaginary Time Spectral Evolution (POITSE) method for the Monte Carlo evaluation of excited state energies. The POITSE method involves the computation of a correlation function in imaginary time. Decay of this function contains information about excitation energies, which can be extracted by a spectral transform. By incorporating branching processes in the Monte Carlo propagation, we compute these correlation functions with significantly reduced statistical noise. Our approach allows for the stable evaluation of small energy differences in situations where the previous POITSE implementation was limited by this noise.
{
"annotation_id": "2fa074a1-2a21-4e19-b07c-d2576fca3903",
"date_created": "2026-03-02T18:00:39.706000Z",
"date_modified": "2026-03-02T18:00:39.706000Z",
"file_hash": "9cef6fe4629d5fdd061faa0bb3ac62c42cb76fc566f89991d6d0dd052b3147b3",
"private": false,
"record": {
"abstract": "We describe and systematically analyze new implementations of the Projection\nOperator Imaginary Time Spectral Evolution (POITSE) method for the Monte Carlo\nevaluation of excited state energies. The POITSE method involves the\ncomputation of a correlation function in imaginary time. Decay of this function\ncontains information about excitation energies, which can be extracted by a\nspectral transform. By incorporating branching processes in the Monte Carlo\npropagation, we compute these correlation functions with significantly reduced\nstatistical noise. Our approach allows for the stable evaluation of small\nenergy differences in situations where the previous POITSE implementation was\nlimited by this noise.",
"arxiv_id": "physics/0203012",
"authors": [
"Patrick Huang",
"Alexandra Viel",
"K. Birgitta Whaley"
],
"categories": [
"physics.comp-ph",
"physics.chem-ph"
],
"journal_ref": "P. Huang, A. Viel, and K. B. Whaley, in \"Recent Advances in\n Quantum Monte Carlo Methods, Part II\", edited by W. A. Lester, Jr., S. M.\n Rothstein, and S. Tanaka (World Scientific, Singapore, 2002), p. 111",
"title": "Efficient implementation of the Projection Operator Imaginary Time Spectral Evolution (POITSE) method for excited states",
"url": "https://arxiv.org/abs/physics/0203012"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "3794b3c5-25a5-4cb3-bf1d-a8446ed806ae",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}