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18 results on '"Adams, Terry R."'

10. A tensor approach to two-electron matrix elements.

Author

Adams, Terry R., Adamson, Ross D., and Gill, Peter M.W.

Subjects
*ALGORITHMS, *MOLECULAR orbitals
Abstract

Presents the COLD PRISM algorithm for computing matrix elements in molecular orbital calculations. Formation of two-electron repulsion integrals (ERI) which are formed from shell-pair data; Introduction of several alternative paths that do not involve the ERI as intermediates; Tensor multiplication used as the basic arithmetic operation.

Published
1997
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11. Muon-oxygen interactions in rare-earth barium cuprates

Author

Adams, Terry R., Redington, Richard, Estreicher, Stefan K., and Peters, Randall

Subjects
Muons, Rare earth metals -- Electric properties, Muon spin rotation, Barium compounds -- Electric properties
Published
1994

12. Muon bonding in superconducting cuprates

Author

Adams, Terry R., Lichti, Roger L., and Gibson, Thomas L.

Subjects
Muons, High temperature superconductors, Rare earth metal compounds -- Spectra
Published
1990

14. Q-Chem 2.0: a high-performanceab initio electronic structure program package

Author

Kong, Jing, primary, White, Christopher A., additional, Krylov, Anna I., additional, Sherrill, David, additional, Adamson, Ross D., additional, Furlani, Thomas R., additional, Lee, Michael S., additional, Lee, Aaron M., additional, Gwaltney, Steven R., additional, Adams, Terry R., additional, Ochsenfeld, Christian, additional, Gilbert, Andrew T. B., additional, Kedziora, Gary S., additional, Rassolov, Vitaly A., additional, Maurice, David R., additional, Nair, Nikhil, additional, Shao, Yihan, additional, Besley, Nicholas A., additional, Maslen, Paul E., additional, Dombroski, Jeremy P., additional, Daschel, Holger, additional, Zhang, Weimin, additional, Korambath, Prakashan P., additional, Baker, Jon, additional, Byrd, Edward F. C., additional, Van Voorhis, Troy, additional, Oumi, Manabu, additional, Hirata, So, additional, Hsu, Chao-Ping, additional, Ishikawa, Naoto, additional, Florian, Jan, additional, Warshel, Arieh, additional, Johnson, Benny G., additional, Gill, Peter M. W., additional, Head-Gordon, Martin, additional, and Pople, John A., additional

Published
2000
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15. Q-Chem 2.0: a high-performance ab initio electronic structure program package.

Author

Kong, Jing, White, Christopher A., Krylov, Anna I., Sherrill, David, Adamson, Ross D., Furlani, Thomas R., Lee, Michael S., Lee, Aaron M., Gwaltney, Steven R., Adams, Terry R., Ochsenfeld, Christian, Gilbert, Andrew T. B., Kedziora, Gary S., Rassolov, Vitaly A., Maurice, David R., Nair, Nikhil, Shao, Yihan, Besley, Nicholas A., Maslen, Paul E., and Dombroski, Jeremy P.

Published
2000
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16. Q‐Chem 2.0: a high‐performance ab initioelectronic structure program package

Author

Kong, Jing, White, Christopher A., Krylov, Anna I., Sherrill, David, Adamson, Ross D., Furlani, Thomas R., Lee, Michael S., Lee, Aaron M., Gwaltney, Steven R., Adams, Terry R., Ochsenfeld, Christian, Gilbert, Andrew T. B., Kedziora, Gary S., Rassolov, Vitaly A., Maurice, David R., Nair, Nikhil, Shao, Yihan, Besley, Nicholas A., Maslen, Paul E., Dombroski, Jeremy P., Daschel, Holger, Zhang, Weimin, Korambath, Prakashan P., Baker, Jon, Byrd, Edward F. C., Van Voorhis, Troy, Oumi, Manabu, Hirata, So, Hsu, Chao‐Ping, Ishikawa, Naoto, Florian, Jan, Warshel, Arieh, Johnson, Benny G., Gill, Peter M. W., Head–Gordon, Martin, and Pople, John A.

Abstract

Q‐Chem 2.0 is a new release of an electronic structure program package, capable of performing first principles calculations on the ground and excited states of molecules using both density functional theory and wave function‐based methods. A review of the technical features contained within Q‐Chem 2.0 is presented. This article contains brief descriptive discussions of the key physical features of all new algorithms and theoretical models, together with sample calculations that illustrate their performance. © 2000 John Wiley & Sons, Inc. J Comput Chem 21: 1532–1548, 2000

Published
2000
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17. Q-Chem 2.0: a high-performance <TOGGLE>ab initio</TOGGLE> electronic structure program package

Author

Kong, Jing, White, Christopher A., Krylov, Anna I., Sherrill, David, Adamson, Ross D., Furlani, Thomas R., Lee, Michael S., Lee, Aaron M., Gwaltney, Steven R., Adams, Terry R., Ochsenfeld, Christian, Gilbert, Andrew T. B., Kedziora, Gary S., Rassolov, Vitaly A., Maurice, David R., Nair, Nikhil, Shao, Yihan, Besley, Nicholas A., Maslen, Paul E., Dombroski, Jeremy P., Daschel, Holger, Zhang, Weimin, Korambath, Prakashan P., Baker, Jon, Byrd, Edward F. C., Voorhis, Troy Van, Oumi, Manabu, Hirata, So, Hsu, Chao-Ping, Ishikawa, Naoto, Florian, Jan, Warshel, Arieh, Johnson, Benny G., Gill, Peter M. W., Head–Gordon, Martin, and Pople, John A.

Abstract

Q-Chem 2.0 is a new release of an electronic structure program package, capable of performing first principles calculations on the ground and excited states of molecules using both density functional theory and wave function-based methods. A review of the technical features contained within Q-Chem 2.0 is presented. This article contains brief descriptive discussions of the key physical features of all new algorithms and theoretical models, together with sample calculations that illustrate their performance. © 2000 John Wiley & Sons, Inc. J Comput Chem 21: 1532–1548, 2000

Published
2000
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18. 2021 MCNP(R) User Symposium Developer Abstracts

Author

Rising, Michael Evan, Adams, Terry R., Armstrong, Jerawan Chudoung, Bolding, Simon R., Brown, Forrest B., Bull, Jeffrey S., Forster, Robert Arthur Iii, Josey, Colin James, Kulesza, Joel A., Zukaitis, Anthony J., Sweezy, Jeremy Ed, Swaminarayan, Sriram, Casswell, Laura, Sood, Avneet, Mosher, Scott William, Karen Kelley, Alwin, Jennifer Louise, Spencer, Joshua Bradly, Mehta, Vedant Kiritkumar, Mcclanahan, Tucker Caden, Goorley, John Timothy, Khalsa, Prabhu Singh, Failla, Gregory A., Marcath, Matthew James, Grieve, Tristan Sumner, Talou, Patrick, Stetcu, Ionel, Jaffke, Patrick, Lovell, Amy Elizabeth, Kawano, Toshihiko, Picard, Richard Roy, and Clark, Alexander Rich

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