The transfer Hamiltonian: a tool for large scale simulations with quantum 
mechanical forces

Taylor, C. E.; Cory, M. G.; Bartlett, R. J.; Thiel, W.

doi:10.1016/S0927-0256(03)00002-8

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The transfer Hamiltonian: a tool for large scale simulations with quantum mechanical forces

Taylor, C. E., Cory, M. G., Bartlett, R. J., & Thiel, W. (2003). The transfer Hamiltonian: a tool for large scale simulations with quantum mechanical forces. Computational Materials Science, 27(1-2), 204-211. doi:10.1016/S0927-0256(03)00002-8.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-98AF-C Version Permalink: https://hdl.handle.net/11858/00-001M-0000-001A-335C-5

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Creators:
Taylor, C. E.¹, Author
Cory, M. G.¹, Author
Bartlett, R. J.¹, Author
Thiel, W.², Author

Affiliations:
1Univ Florida, Dept Chem, Quantum Theory Project, Gainesville, FL 32611 USA.; Univ Florida, Dept Phys, Quantum Theory Project, Gainesville, FL 32611 USA., ou_persistent22
2Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590

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Free keywords: transfer Hamiltonian, coupled cluster theory, molecular dynamics, fracture

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Language(s): eng - English

Dates: Date issued: 2003-03

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 119459
DOI: 10.1016/S0927-0256(03)00002-8
ISI: 000181656700033

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Title: Computational Materials Science

Alternative Title : Comput. Mater. Sci.

Source Genre: Journal

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Pages: - Volume / Issue: 27 (1-2) Sequence Number: - Start / End Page: 204 - 211 Identifier: ISSN: 0927-0256