dorsal/arxiv
View SchemaThe Role of the Environment in Molecular Systems
| Authors | Dmitri S. Kilin |
|---|---|
| Categories | |
| ArXiv ID | quant-ph/0001004 |
| URL | https://arxiv.org/abs/quant-ph/0001004 |
Abstract
The work is devoted to the investigation of the influence of a heat bath on the physical processes in a quantum system. We use the density matrix theory as one of the most powerfool tool for investigation of quantum relaxation. In the beginning of the work (chapter 2) we mention and recall the most important steps of derivation of the equation of motion for the reduced density matrix (master equation) for an arbitrary quantum system in diabatic representation interacting with the environment modeled by a set of independent harmonic oscillators. Chapter 3 deals with the question of the border between classical and quantum effects and reports on a study of the environmental influence on the time evolution of a coherent state or the superposition of two coherent states of a harmonic oscillator as a simple system displaying the peculiarities of the transition from quantum to classical regime. Chapters 4 and 5 concern the electron transfer (ET) problem, namely the mathematical description of the ET in molecular zinc-porphyrin-quinone complexes modeling artificial photosynthesis (chapter 4) and photoinduced processes in the porphyrin triad (chapter 5). Each chapter starts with an introduction and ends with a brief summary. The main achievements of the present work are summarized in the Conclusions.
{
"annotation_id": "31454f6c-5b4a-40f3-b5ea-dd7c733eac04",
"date_created": "2026-03-02T18:01:34.818000Z",
"date_modified": "2026-03-02T18:01:34.818000Z",
"file_hash": "9c0abdf76f8f2255ed947d5b5d9c4949b03949ed86d95013f932ab69fcb4ba89",
"private": false,
"record": {
"abstract": "The work is devoted to the investigation of the influence of a heat bath on\nthe physical processes in a quantum system. We use the density matrix theory as\none of the most powerfool tool for investigation of quantum relaxation. In the\nbeginning of the work (chapter 2) we mention and recall the most important\nsteps of derivation of the equation of motion for the reduced density matrix\n(master equation) for an arbitrary quantum system in diabatic representation\ninteracting with the environment modeled by a set of independent harmonic\noscillators. Chapter 3 deals with the question of the border between classical\nand quantum effects and reports on a study of the environmental influence on\nthe time evolution of a coherent state or the superposition of two coherent\nstates of a harmonic oscillator as a simple system displaying the peculiarities\nof the transition from quantum to classical regime. Chapters 4 and 5 concern\nthe electron transfer (ET) problem, namely the mathematical description of the\nET in molecular zinc-porphyrin-quinone complexes modeling artificial\nphotosynthesis (chapter 4) and photoinduced processes in the porphyrin triad\n(chapter 5). Each chapter starts with an introduction and ends with a brief\nsummary. The main achievements of the present work are summarized in the\nConclusions.",
"arxiv_id": "quant-ph/0001004",
"authors": [
"Dmitri S. Kilin"
],
"categories": [
"quant-ph"
],
"title": "The Role of the Environment in Molecular Systems",
"url": "https://arxiv.org/abs/quant-ph/0001004"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "8535ec24-4ac1-43f7-8a17-6c6c306c5079",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}