Results 161 to 170 of about 5,285,566 (268)

Triple Electron Attachments with a New Intermediate-Hamiltonian Fock-Space Coupled-Cluster Method. [PDF]

J Phys Chem A
Hu Y, Wang Z, Wang F, Meissner L.
europepmc   +1 more source

An Intruder-Free Fock Space Coupled-Cluster Study of the Potential Energy Curves of LiMg⁺ within the (2,0) Sector. [PDF]

Molecules
Skrzyński G, Musial M.
europepmc   +1 more source

Leveraging Configuration Interaction Singles for Qualitative Descriptions of Ground and Excited States: State-Averaging, Linear-Response, and Spin-Projection. [PDF]

J Chem Theory Comput
Tsuchimochi T, Mokhtar B.
europepmc   +1 more source

Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules in Optical Cavities. [PDF]

J Chem Theory Comput
Aklilu Y, Shepherd M, Covington CL, Varga K.   +3 more
europepmc   +1 more source

Digitizing Micromaser Steady States: Entropy, Information Graphs, and Multipartite Correlations in Qubit Registers. [PDF]

Entropy (Basel)
Németh I, Zsóka S, Bencze A.
europepmc   +1 more source

Local Pair Natural Orbital-Based Coupled-Cluster Theory through Full Quadruples (DLPNO-CCSDTQ). [PDF]

J Chem Theory Comput
Jiang A, Matthews DA, Poole D, Briggs CG, Turney JM, Sherrill CD, Schaefer Iii HF.   +6 more
europepmc   +1 more source

Convex Hartree-Fock theory for modeling ground state conical intersections. [PDF]

Commun Chem
Rossi F, Koch H.
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Experimental realization of para-particle oscillators. [PDF]

Sci Rep
Huerta Alderete C, Green AM, Nguyen NH, Zhu Y, Rodríguez-Lara BM, Linke NM.   +5 more
europepmc   +1 more source

Automated Discovery of Algorithms for Molecular Electronic Structure Calculations Using Physics-Informed Program Synthesis. [PDF]

J Am Chem Soc
Acheson K, Turanyi R, Habershon S.
europepmc   +1 more source

Any Topological Recursion on a Rational Spectral Curve is KP Integrable. [PDF]

Commun Math Phys
Alexandrov A, Bychkov B, Dunin-Barkowski P, Kazarian M, Shadrin S.   +4 more
europepmc   +1 more source