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Articles 1 - 3 of 3
Full-Text Articles in Physics
Reinvigorating A Technical Countering Weapons Of Mass Destruction Distance Learning Graduate Certificate Program, James C. Petrosky, Gaiven Varshney, Jeremy Slagley, Sara Shaghaghi
Reinvigorating A Technical Countering Weapons Of Mass Destruction Distance Learning Graduate Certificate Program, James C. Petrosky, Gaiven Varshney, Jeremy Slagley, Sara Shaghaghi
Faculty Publications
Current Countering Weapons of Mass Destruction (CWMD) demands can be divided broadly into policy and science. The science of chemical, biological, and radiological/nuclear weapons informs the limits of development, production, employment, operation, detection, risk characterization, human and material protection, and medical intervention. In short, the science of weapons of mass destruction (WMD) should precede and inform the development of policy. It is to this end that the Air Force Institute of Technology (AFIT) CWMD program was re-established, providing a technical educational option for practitioners to understand the science behind a very technically challenging subject.
Reference Dependence Of The Two-Determinant Coupled-Cluster Method For Triplet And Open-Shell Singlet States Of Biradical Molecules, Jesse J. Lutz, Marcel Nooijen, Ajith Perera, Rodney J. Bartlett
Reference Dependence Of The Two-Determinant Coupled-Cluster Method For Triplet And Open-Shell Singlet States Of Biradical Molecules, Jesse J. Lutz, Marcel Nooijen, Ajith Perera, Rodney J. Bartlett
Faculty Publications
We study the performance of the two-determinant (TD) coupled-cluster (CC) method which, unlike conventional ground-state single-reference (SR) CC methods, can, in principle, provide a naturally spin-adapted treatment of the lowest-lying open-shell singlet (OSS) and triplet electronic states. Various choices for the TD-CC reference orbitals are considered, including those generated by the multi-configurational self-consistent field method. Comparisons are made with the results of high-level SR-CC, equation-of-motion (EOM) CC, and multi-reference EOM calculations performed on a large test set of over 100 molecules with low-lying OSS states. It is shown that in cases where the EOMCC reference function is poorly described, TD-CC …
Collisional Dynamics Of Bi2 A(0U+). I. Quantum-Resolved Vibrational Energy Transfer For V′=0–4, Robert E. Franklin, Glen P. Perram
Collisional Dynamics Of Bi2 A(0U+). I. Quantum-Resolved Vibrational Energy Transfer For V′=0–4, Robert E. Franklin, Glen P. Perram
Faculty Publications
Vibrational-to-translational energy transfer between the lowest vibrational levels (v′=0–4) of the A(0+u) state of Bi2 has been investigated using spectrally resolved, laser-induced fluorescence techniques. The small vibrational spacing (ω′e≃132 cm−1) leads to highly nonadiabatic conditions, particularly for the Bi2(A)–He collision pair. However, the Δv=−1 transition probabilities for collisions with the rare gases range from 0.75% to 1.75% per collision, considerably lower than would be anticipated from standard vibrational energy transfer theory. Multiquantum (Δv′=±2) transfer rates are low, consistent with the low anharmonicity of the A(0+u) state. The rates for …