Zobrazeno 1 - 10
of 102
pro vyhledávání: '"Shea, Jacqueline"'
We explore the performance of a recently-introduced $N^5$-scaling excited-state-specific second order perturbation theory (ESMP2) on the singlet excitations of the Thiel benchmarking set. We find that, without regularization, ESMP2 is quite sensitive
Externí odkaz:
http://arxiv.org/abs/2302.07240
We show that by working in a basis similar to that of the natural transition orbitals and using a modified zeroth order Hamiltonian, the cost of a recently-introduced perturbative correction to excited state mean field theory can be reduced from seve
Externí odkaz:
http://arxiv.org/abs/2003.12923
We present a generalization of the variational principle that is compatible with any Hamiltonian eigenstate that can be specified uniquely by a list of properties. This variational principle appears to be compatible with a wide range of electronic st
Externí odkaz:
http://arxiv.org/abs/1910.03145
We present a method for finding individual excited states' energy stationary points in complete active space self-consistent field theory that is compatible with standard optimization methods and highly effective at overcoming difficulties due to roo
Externí odkaz:
http://arxiv.org/abs/1904.05489
Publikováno v:
J. Chem. Phys. 149, 081101 (2018)
We present a mean field theory for excited states that is broadly analogous to ground state Hartree-Fock theory. Like Hartree-Fock, our approach is deterministic, state-specific, applies a variational principle to a minimally correlated ansatz, produ
Externí odkaz:
http://arxiv.org/abs/1806.00853
Autor:
Kim, Jeongnim, Baczewski, Andrew, Beaudet, Todd D., Benali, Anouar, Bennett, M. Chandler, Berrill, Mark A., Blunt, Nick S., Borda, Edgar Josue Landinez, Casula, Michele, Ceperley, David M., Chiesa, Simone, Clark, Bryan K., Clay III, Raymond C., Delaney, Kris T., Dewing, Mark, Esler, Kenneth P., Hao, Hongxia, Heinonen, Olle, Kent, Paul R. C., Krogel, Jaron T., Kylanpaa, Ilkka, Li, Ying Wai, Lopez, M. Graham, Luo, Ye, Malone, Fionn D., Martin, Richard M., Mathuriya, Amrita, McMinis, Jeremy, Melton, Cody A., Mitas, Lubos, Morales, Miguel A., Neuscamman, Eric, Parker, William D., Flores, Sergio D. Pineda, Romero, Nichols A., Rubenstein, Brenda M., Shea, Jacqueline A. R., Shin, Hyeondeok, Shulenburger, Luke, Tillack, Andreas, Townsend, Joshua P., Tubman, Norm M., Van Der Goetz, Brett, Vincent, Jordan E., Yang, D. ChangMo, Yang, Yubo, Zhang, Shuai, Zhao, Luning
Publikováno v:
J. Phys.: Condens. Matter 30 195901 (2018)
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Car
Externí odkaz:
http://arxiv.org/abs/1802.06922
We demonstrate that a broad class of excited state variational principles is not size consistent. In light of this difficulty, we develop and test an approach to excited state optimization that transforms between variational principles in order to ac
Externí odkaz:
http://arxiv.org/abs/1708.09805
Working with Patients Living with Obesity in the Intensive Care Unit: A Study of Nurses' Experiences
Autor:
Shea, Jacqueline M.
Nurses who work in the intensive care settings (or units, ICU) in Canada encounter a growing number of patients living with obesity (PLWO) in clinical practice. Many authors suggest that the number of PLWO who are admitted to the ICU has increased si
Externí odkaz:
http://hdl.handle.net/10393/31230
Autor:
Tebas, Pablo, Yang, ShuPing, Boyer, Jean D., Reuschel, Emma L., Patel, Ami, Christensen-Quick, Aaron, Andrade, Viviane M., Morrow, Matthew P., Kraynyak, Kimberly, Agnes, Joseph, Purwar, Mansi, Sylvester, Albert, Pawlicki, Jan, Gillespie, Elisabeth, Maricic, Igor, Zaidi, Faraz I., Kim, Kevin Y., Dia, Yaya, Frase, Drew, Pezzoli, Patrick, Schultheis, Katherine, Smith, Trevor R.F., Ramos, Stephanie J., McMullan, Trevor, Buttigieg, Karen, Carroll, Miles W., Ervin, John, Diehl, Malissa C., Blackwood, Elliott, Mammen, Mammen P., Lee, Jessica, Dallas, Michael J., Brown, Ami Shah, Shea, Jacqueline E., Kim, J.Joseph, Weiner, David B., Broderick, Kate E., Humeau, Laurent M.
Publikováno v:
In EClinicalMedicine January 2021 31
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.