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Recent developments in the general atomic and molecular electronic structure system
Recent developments in the general atomic and molecular electronic structure system
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Recent developments in the general atomic and molecular electronic structure system

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.

The Journal of chemical physics, 2020-04, Vol.152 (15), p.154102-154102 [Periódico revisado por pares]

United States: American Institute of Physics

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2
Extending the accuracy of the SNAP interatomic potential form
Extending the accuracy of the SNAP interatomic potential form
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Extending the accuracy of the SNAP interatomic potential form

Wood, Mitchell A. ; Thompson, Aidan P.

The Journal of chemical physics, 2018-06, Vol.148 (24), p.241721-241721 [Periódico revisado por pares]

United States: American Institute of Physics (AIP)

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3
Streaked sub-ps-resolution x-ray line shapes and implications for solid-density plasma dynamics (invited)
Streaked sub-ps-resolution x-ray line shapes and implications for solid-density plasma dynamics (invited)
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Streaked sub-ps-resolution x-ray line shapes and implications for solid-density plasma dynamics (invited)

Kruas, B F ; Gau, L ; Hill, K W ; Bitter, M ; Efthimion, P C ; Hollinger, R ; Wang, S ; Song, H ; Nedbailo, R ; Rocca, J J ; Mancini, R C ; Beatty, C B ; MacDonald, M J ; Shepherd, R

United States 2023

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4
Importance sampling large deviations in nonequilibrium steady states. I
Importance sampling large deviations in nonequilibrium steady states. I
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Importance sampling large deviations in nonequilibrium steady states. I

Ray, Ushnish ; Chan, Garnet Kin-Lic ; Limmer, David T.

The Journal of chemical physics, 2018-03, Vol.148 (12), p.124120-124120 [Periódico revisado por pares]

United States: American Institute of Physics (AIP)

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5
Perspective: Explicitly correlated electronic structure theory for complex systems
Perspective: Explicitly correlated electronic structure theory for complex systems
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Perspective: Explicitly correlated electronic structure theory for complex systems

Grüneis, Andreas ; Hirata, So ; Ohnishi, Yu-ya ; Ten-no, Seiichiro

The Journal of chemical physics, 2017-02, Vol.146 (8), p.080901-080901 [Periódico revisado por pares]

United States: American Institute of Physics (AIP)

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6
Towards a pair natural orbital coupled cluster method for excited states
Towards a pair natural orbital coupled cluster method for excited states
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Towards a pair natural orbital coupled cluster method for excited states

Dutta, Achintya Kumar ; Neese, Frank ; Izsák, Róbert

The Journal of chemical physics, 2016-07, Vol.145 (3), p.034102-034102 [Periódico revisado por pares]

United States: American Institute of Physics

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7
Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations
Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations
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Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations

Kubas, Adam ; Hoffmann, Felix ; Heck, Alexander ; Oberhofer, Harald ; Elstner, Marcus ; Blumberger, Jochen

The Journal of chemical physics, 2014-03, Vol.140 (10), p.104105-104105 [Periódico revisado por pares]

United States: American Institute of Physics

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8
A driven similarity renormalization group approach to quantum many-body problems
A driven similarity renormalization group approach to quantum many-body problems
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A driven similarity renormalization group approach to quantum many-body problems

Evangelista, Francesco A

The Journal of chemical physics, 2014-08, Vol.141 (5), p.054109-054109 [Periódico revisado por pares]

United States: American Institute of Physics

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9
Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation
Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation
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Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation

Li, Xiayue ; Curtis, Farren S. ; Rose, Timothy ; Schober, Christoph ; Vazquez-Mayagoitia, Alvaro ; Reuter, Karsten ; Oberhofer, Harald ; Marom, Noa

The Journal of chemical physics, 2018-06, Vol.148 (24), p.241701-241701 [Periódico revisado por pares]

United States: American Institute of Physics (AIP)

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10
Experimentally determining the relative efficiency of spherically bent germanium and quartz crystals
Experimentally determining the relative efficiency of spherically bent germanium and quartz crystals
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Experimentally determining the relative efficiency of spherically bent germanium and quartz crystals

Brown, G V ; Beiersdorfer, P ; Hell, N ; Magee, E W

United States 2017

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