Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions von Deustua, J. Emiliano, Magoulas, Ilias, Shen, Jun, Piecuch, Piotr

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Recent developments in the general atomic and molecular electronic structure system von Barca, Giuseppe M. J., Bertoni, Colleen, Carrington, Laura, Datta, Dipayan, De Silva, Nuwan, Deustua, J. Emiliano, Fedorov, Dmitri G., Gour, Jeffrey R., Gunina, Anastasia O., Guidez, Emilie, Harville, Taylor, Irle, Stephan, Ivanic, Joe, Kowalski, Karol, Leang, Sarom S., Li, Hui, Li, Wei, Lutz, Jesse J., Magoulas, Ilias, Mato, Joani, Mironov, Vladimir, Nakata, Hiroya, Pham, Buu Q., Piecuch, Piotr, Poole, David, Pruitt, Spencer R., Rendell, Alistair P., Roskop, Luke B., Ruedenberg, Klaus, Sattasathuchana, Tosaporn, Schmidt, Michael W., Shen, Jun, Slipchenko, Lyudmila, Sosonkina, Masha, Sundriyal, Vaibhav, Tiwari, Ananta, Galvez Vallejo, Jorge L., Westheimer, Bryce, Włoch, Marta, Xu, Peng, Zahariev, Federico, Gordon, Mark S.

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The Ground State Electronic Energy of Benzene von Eriksen, Janus J, Anderson, Tyler A, Deustua, J. Emiliano, Ghanem, Khaldoon, Hait, Diptarka, Hoffmann, Mark R, Lee, Seunghoon, Levine, Daniel S, Magoulas, Ilias, Shen, Jun, Tubman, Norm M, Whaley, K. Birgitta, Xu, Enhua, Yao, Yuan, Zhang, Ning, Alavi, Ali, Chan, Garnet Kin-Lic, Head-Gordon, Martin, Liu, Wenjian, Piecuch, Piotr, Sharma, Sandeep, Ten-no, Seiichiro L, Umrigar, C. J, Gauss, Jürgen

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An ab initio study of the electronic structure of the boron oxide neutral (BO), cationic (BO⁺), and anionic (BO⁻) species von Magoulas, Ilias, Kalemos, Apostolos

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Optimization of the Reax force field for the lithium–oxygen system using a high fidelity charge model von O’Hearn, Kurt A., Swift, Michael W., Liu, Jialin, Magoulas, Ilias, Piecuch, Piotr, van Duin, Adri C. T., Aktulga, H. Metin, Qi, Yue

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Isoenergetic two-photon excitation enhances solvent-to-solute excited-state proton transfer von Lahiri, Jurick, Moemeni, Mehdi, Kline, Jessica, Magoulas, Ilias, Yuwono, Stephen H., Laboe, Maryann, Shen, Jun, Borhan, Babak, Piecuch, Piotr, Jackson, James E., Blanchard, G. J., Dantus, Marcos

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Femtosecond real-time probing of reactions MMXVII: The predissociation of sodium iodide in the A 0+ state von Rasskazov, Gennady, Nairat, Muath, Magoulas, Ilias, Lozovoy, Vadim V., Piecuch, Piotr, Dantus, Marcos

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CNOT-Efficient Circuits for Arbitrary Rank Many-Body Fermionic and Qubit Excitations von Magoulas, Ilias, Evangelista, Francesco A.

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Unitary Coupled Cluster: Seizing the Quantum Moment von Magoulas, Ilias, Evangelista, Francesco A.

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Linear-Scaling Quantum Circuits for Computational Chemistry von Magoulas, Ilias, Evangelista, Francesco A.

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Is Externally Corrected Coupled Cluster Always Better Than the Underlying Truncated Configuration Interaction? von Magoulas, Ilias, Gururangan, Karthik, Piecuch, Piotr, Deustua, J. Emiliano, Shen, Jun

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An ab initio study of the electronic structure of boron arsenide, BAs von Magoulas, Ilias, Kalemos, Apostolos

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Application of the CC(P;Q) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer von Magoulas, Ilias, Bauman, Nicholas P., Shen, Jun, Piecuch, Piotr

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Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions von Deustua, J. Emiliano, Magoulas, Ilias, Shen, Jun, Piecuch, Piotr

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An ab initio study of the electronic structure of BF and BF von Magoulas, Ilias, Kalemos, Apostolos, Mavridis, Aristides

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Is Externally Corrected Coupled Cluster Always Better Than the Underlying Truncated Configuration Interaction? von Magoulas, Ilias, Gururangan, Karthik, Piecuch, Piotr, Deustua, J. Emiliano, Shen, Jun

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Quantum computation solves a half-century-old enigma: Elusive vibrational states of magnesium dimer found von Yuwono, Stephen H., Magoulas, Ilias, Piecuch, Piotr

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Structural parameters of the ground states of the quasi-stable diatomic anions CO−, BF−, and BCl− as obtained by conventional Ab Initio methods von Magoulas, Ilias, Papakondylis, Aristotle, Mavridis, Aristides

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Accurate ab Initio Structural Parameters of the Diatomic and Triatomic van der Waals Molecules super(11)BNg (X super(2) capital pi , A super(2) capital sigma super(+)) and super(11... von Magoulas, Ilias, Papakondylis, Aristotle, Mavridis, Aristides

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Accurate ab Initio Structural Parameters of the Diatomic and Triatomic van der Waals Molecules 11 BNg ( X 2 Π, A 2 Σ + ) and 11 BNg 2 ( X̃ 2 B 1 ), Ng = 4 He, 20 Ne, 40 Ar, 84 Kr,... von Magoulas, Ilias, Papakondylis, Aristotle, Mavridis, Aristides

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