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Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation.Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability.Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties.A polarizable continuum model for molecules at spherical diffuse interfaces.Wavelet formulation of the polarizable continuum model. II. Use of piecewise bilinear boundary elements.Four-component relativistic calculations in solution with the polarizable continuum model of solvation: theory, implementation, and application to the group 16 dihydrides H2X (X = O, S, Se, Te, Po).Four-component relativistic density functional theory with the polarisable continuum model: application to EPR parameters and paramagnetic NMR shiftsThe HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State UpDiagrammatic Coupled Cluster Monte CarloFully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous SolutionsPsi4 1.4: Open-source software for high-throughput quantum chemistryThe DIRAC code for relativistic molecular calculationsDalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
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P50
description
Forscher
@de
chercheur
@fr
investigador
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researcher
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wetenschapper
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հետազոտող
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研究者
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name
Roberto Di Remigio
@ast
Roberto Di Remigio
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Roberto Di Remigio
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Roberto Di Remigio
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type
label
Roberto Di Remigio
@ast
Roberto Di Remigio
@en
Roberto Di Remigio
@es
Roberto Di Remigio
@nl
prefLabel
Roberto Di Remigio
@ast
Roberto Di Remigio
@en
Roberto Di Remigio
@es
Roberto Di Remigio
@nl
P21
P31
P496
0000-0002-5452-9239