From ffed848fa1c6412caa9a4fb815338150e0ec7d98 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 19 Oct 2018 18:37:58 +0200 Subject: [PATCH] References --- docs/source/applications.rst | 20 -------------------- docs/source/index.rst | 3 +-- docs/source/intro.rst | 9 +++++---- docs/source/references.rst | 9 --------- docs/source/{refs.bib => research.bib} | 20 ++++++++++---------- 5 files changed, 16 insertions(+), 45 deletions(-) delete mode 100644 docs/source/applications.rst delete mode 100644 docs/source/references.rst rename docs/source/{refs.bib => research.bib} (100%) diff --git a/docs/source/applications.rst b/docs/source/applications.rst deleted file mode 100644 index 6c908237..00000000 --- a/docs/source/applications.rst +++ /dev/null @@ -1,20 +0,0 @@ -Research made with the Quantum Package -====================================== - -- A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks :cite:`Loos_2018` -- Deterministic Construction of Nodal Surfaces within Quantum Monte Carlo: The Case of {FeS} :cite:`Scemama_2018` -- Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes :cite:`Scemama_2018.2` -- Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo :cite:`Dash_2018` -- Selected configuration interaction dressed by perturbation :cite:`Garniron_2018` -- A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves :cite:`Giner_2017` -- Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster :cite:`Garniron_2017` -- Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory :cite:`Garniron_2017.2` -- Orthogonal Valence Bond Hamiltonians incorporating dynamical correlation effects :cite:`Giner_2017.2` -- A simple approach to the state-specific {MR}-{CC} using the intermediate Hamiltonian formalism :cite:`Giner_2016` -- Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule :cite:`Caffarel_2016` -- Using CIPSI Nodes in Diffusion Monte Carlo :cite:`Caffarel_2016.2` -- Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions :cite:`Giner_2015` -- Accurate nonrelativistic ground-state energies of 3d transition metal atoms :cite:`Scemama_2014` -- Spin Density Distribution in Open-Shell Transition Metal Systems: A Comparative Post-Hartree-Fock, Density Functional Theory, and Quantum Monte Carlo Study of the CuCl2 Molecule :cite:`Caffarel_2014` -- Using perturbatively selected configuration interaction in quantum Monte Carlo calculations :cite:`Giner_2013` -- An efficient implementation of Slater-Condon rules :cite:`Scemama2013Nov` diff --git a/docs/source/index.rst b/docs/source/index.rst index d9972917..bcf99cd3 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -16,12 +16,11 @@ Quantum Package :caption: Contents: intro - applications interfaces benchmarks installation programming - references + research license diff --git a/docs/source/intro.rst b/docs/source/intro.rst index 9ee6481d..3eb7507b 100644 --- a/docs/source/intro.rst +++ b/docs/source/intro.rst @@ -43,14 +43,15 @@ Applications Multiple programs were developed with the |qp|, such as: -- Selected Full-CI + Epstein-Nesbet PT2 (CIPSI) -- Hybrid stochastic/deterministic MR-PT2 +- Selected Full-CI + Epstein-Nesbet PT2 (CIPSI) :cite:`Caffarel_2016,Caffarel_2016.2,Loos_2018,Scemama_2018,Dash_2018` +- Hybrid stochastic/deterministic MR-PT2 :cite:`Garniron_2017.2,Loos_2018` - CIS, CISD, MP2 - Selected CISD -- Jeziorsky-Monkhorst MR-PT2 +- Jeziorsky-Monkhorst MR-PT2 :cite:`Giner_2017` - Selected CAS+SD - Selected difference-dedicated CI (DD-CI) -- Multi-Reference Coupled Cluster (MR-CCSD) +- Multi-Reference Coupled Cluster (MR-CCSD) :cite:`Giner_2016,Garniron_2017` +- Shifted-Bk with CIPSI :cite:`Garniron_2018` - CIPSI with range-separated DFT All these programs can generate ground and excited states, and spin pure wave functions diff --git a/docs/source/references.rst b/docs/source/references.rst deleted file mode 100644 index 4ffc2be0..00000000 --- a/docs/source/references.rst +++ /dev/null @@ -1,9 +0,0 @@ -References -^^^^^^^^^^^ - -.. rubric:: References - -.. bibliography:: refs.bib - :style: unsrt - - diff --git a/docs/source/refs.bib b/docs/source/research.bib similarity index 100% rename from docs/source/refs.bib rename to docs/source/research.bib index 0a6ff47d..8b0fb074 100644 --- a/docs/source/refs.bib +++ b/docs/source/research.bib @@ -1,13 +1,3 @@ -@article{Scemama2013Nov, - author = {Scemama, Anthony and Giner, Emmanuel}, - title = {{An efficient implementation of Slater-Condon rules}}, - journal = {arXiv}, - year = {2013}, - month = {Nov}, - eprint = {1311.6244}, - url = {https://arxiv.org/abs/1311.6244} -} - @article{Loos_2018, doi = {10.1021/acs.jctc.8b00406}, url = {https://doi.org/10.1021%2Facs.jctc.8b00406}, @@ -214,3 +204,13 @@ journal = {Canadian Journal of Chemistry} } +@article{Scemama2013Nov, + author = {Scemama, Anthony and Giner, Emmanuel}, + title = {{An efficient implementation of Slater-Condon rules}}, + journal = {arXiv}, + year = {2013}, + month = {Nov}, + eprint = {1311.6244}, + url = {https://arxiv.org/abs/1311.6244} +} +