dorsal/arxiv
View SchemaThe Structure of Positive Decompositions of Exponential Operators
| Authors | Siu A. Chin |
|---|---|
| Categories | |
| ArXiv ID | physics/0312005 |
| URL | https://arxiv.org/abs/physics/0312005 |
Abstract
The solution of many physical evolution equations can be expressed as an exponential of two or more operators acting on initial data. Accurate solutions can be systematically derived by decomposing the exponential in a product form. For time-reversible equations, such as the Hamilton or the Schr\"odinger equation, it is immaterial whether or not the decomposition coefficients are positive. In fact, most symplectic algorithms for solving classical dynamics contain some negative coefficients. For time-irreversible systems, such as the Fokker-Planck equation or the quantum statistical propagator, only positive-coefficient decompositions, which respect the time-irreversibility of the diffusion kernel, can yield practical algorithms. These positive time steps only, forward decompositions, are a highly effective class of factorization algorithms. This work introduce a framework for understanding the structure of these algorithms. By a suitable representation of the factorization coefficients, we show that specific error terms and order conditions can be solved {\it analytically}. Using this framework, we can go beyond the Sheng-Suzuki theorem and derive a lower bound for the error coefficient $e_{VTV}$. By generalizing the framework perturbatively, we can further prove that it is not possible to have a sixth order forward algorithm by including only the commutator $[VTV]\equiv[V,[T,V]]$. The pattern of these higher order forward algorithms is that in going from the (2n)$^{\rm th}$ to the (2n+2)$^{\rm th}$ order, one must include a new commutator $[VT^{2n-1}V]$ in the decomposition process.
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"abstract": "The solution of many physical evolution equations can be expressed as an\nexponential of two or more operators acting on initial data. Accurate solutions\ncan be systematically derived by decomposing the exponential in a product form.\nFor time-reversible equations, such as the Hamilton or the Schr\\\"odinger\nequation, it is immaterial whether or not the decomposition coefficients are\npositive. In fact, most symplectic algorithms for solving classical dynamics\ncontain some negative coefficients. For time-irreversible systems, such as the\nFokker-Planck equation or the quantum statistical propagator, only\npositive-coefficient decompositions, which respect the time-irreversibility of\nthe diffusion kernel, can yield practical algorithms. These positive time steps\nonly, forward decompositions, are a highly effective class of factorization\nalgorithms. This work introduce a framework for understanding the structure of\nthese algorithms. By a suitable representation of the factorization\ncoefficients, we show that specific error terms and order conditions can be\nsolved {\\it analytically}. Using this framework, we can go beyond the\nSheng-Suzuki theorem and derive a lower bound for the error coefficient\n$e_{VTV}$. By generalizing the framework perturbatively, we can further prove\nthat it is not possible to have a sixth order forward algorithm by including\nonly the commutator $[VTV]\\equiv[V,[T,V]]$. The pattern of these higher order\nforward algorithms is that in going from the (2n)$^{\\rm th}$ to the\n(2n+2)$^{\\rm th}$ order, one must include a new commutator $[VT^{2n-1}V]$ in\nthe decomposition process.",
"arxiv_id": "physics/0312005",
"authors": [
"Siu A. Chin"
],
"categories": [
"physics.comp-ph",
"math-ph",
"math.MP"
],
"title": "The Structure of Positive Decompositions of Exponential Operators",
"url": "https://arxiv.org/abs/physics/0312005"
},
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