mirror of
https://github.com/LCPQ/quantum_package
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8f89e3d239
* Documentation * Improved qp_set_frozen_core * Changed all ishft * New install script OK * Variable level shift in HF
57 lines
2.2 KiB
ReStructuredText
57 lines
2.2 KiB
ReStructuredText
Research made with the Quantum Package
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======================================
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.. bibliography:: refs.bib
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#. :cite:`Loos_2018` A Mountaineering Strategy to Excited States: Highly
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Accurate Reference Energies and Benchmarks
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#. :cite:`Scemama_2018` Deterministic Construction of Nodal Surfaces within
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Quantum Monte Carlo: The Case of FeS
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#. :cite:`Scemama_2018.2` Excitation energies from diffusion Monte Carlo using
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selected configuration interaction nodes
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#. :cite:`Dash_2018` Perturbatively Selected Configuration-Interaction Wave
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Functions for Efficient Geometry Optimization in Quantum Monte Carlo
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#. :cite:`Garniron_2018` Selected configuration interaction dressed by
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perturbation
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#. :cite:`Giner_2017` A Jeziorski-Monkhorst fully uncontracted multi-reference
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perturbative treatment. I. Principles, second-order versions, and tests on
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ground state potential energy curves
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#. :cite:`Garniron_2017` Alternative definition of excitation amplitudes in
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multi-reference state-specific coupled cluster
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#. :cite:`Garniron_2017.2` Hybrid stochastic-deterministic calculation of the
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second-order perturbative contribution of multireference perturbation theory
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#. :cite:`Giner_2017.2` Orthogonal Valence Bond Hamiltonians incorporating
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dynamical correlation effects
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#. :cite:`Giner_2016` A simple approach to the state-specific MR-CC using
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the intermediate Hamiltonian formalism
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#. :cite:`Caffarel_2016` Communication: Toward an improved control of the
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fixed-node error in quantum Monte Carlo: The case of the water molecule
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#. :cite:`Caffarel_2016.2` Using CIPSI Nodes in Diffusion Monte Carlo
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#. :cite:`Giner_2015` Fixed-node diffusion Monte Carlo potential energy curve of
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the fluorine molecule F2 using selected configuration interaction trial
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wavefunctions
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#. :cite:`Scemama_2014` Accurate nonrelativistic ground-state energies of 3d
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transition metal atoms
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#. :cite:`Caffarel_2014` Spin Density Distribution in Open-Shell Transition
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Metal Systems: A Comparative Post-Hartree-Fock, Density Functional Theory,
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and Quantum Monte Carlo Study of the CuCl2 Molecule
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#. :cite:`Giner_2013` Using perturbatively selected configuration interaction in
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quantum Monte Carlo calculations
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