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■ Abbreviation / Long Form : DMC / diffusion quantum Monte Carlo

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Total Number of Papers: 26
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Abbreviation:   DMC  (>> Co-occurring Abbreviation)
Long Form:   diffusion quantum Monte Carlo
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No. Year Title Co-occurring Abbreviation
2019 Excitation Energies of Localized Correlated Defects via Quantum Monte Carlo: A Case Study of Mn4+-Doped Phosphors. DFT
2018 Diffusion quantum Monte Carlo and density functional calculations of the structural stability of bilayer arsenene. DFT
2018 Fast and accurate quantum Monte Carlo for molecular crystals. ---
2018 Nuclear quantum effects induce metallization of dense solid molecular hydrogen. PIMD
2017 Diffusion quantum Monte Carlo calculations of SrFeO3 and LaFeO3. DFT
2016 Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo. DFT
2016 Quantum monte carlo study of the energetics of small hydrogenated and fluoride lithium clusters. BE
2016 Quasiparticle and excitonic gaps of one-dimensional carbon chains. ---
2015 Chemical accuracy from quantum Monte Carlo for the benzene dimer. QMC, VMC
10  2015 Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO. ---
11  2015 Structural stability and defect energetics of ZnO from diffusion quantum Monte Carlo. DFT
12  2011 Energetics of diatomic transition metal sulfides ScS to FeS with diffusion quantum Monte Carlo. ---
13  2011 Quantum chemical assessment of the binding energy of CuO+. DFT, MR-ACPF
14  2010 High-pressure phases of calcium: density-functional theory and diffusion quantum Monte Carlo approach. DFT
15  2010 Isomerization of bicyclo[1.1.0]butane by means of the diffusion quantum Monte Carlo method. ---
16  2010 Quantum Monte Carlo calculated potential energy curve for the helium dimer. RMC
17  2008 First-principles studies of the metallization and the equation of state of solid helium. GGA
18  2008 Large-amplitude quantum mechanics in polyatomic hydrides. II. A particle-on-a-sphere model for XH(n) (n=4,5). POS
19  2008 Quantum Monte Carlo study of porphyrin transition metal complexes. ---
20  2008 The quantum Monte Carlo method-electron correlation from random numbers (abstract only). ---
21  2007 Dissociation energy of the water dimer from quantum Monte Carlo calculations. ---
22  2006 Quantum Monte Carlo calculations of the dissociation energy of the water dimer. HF
23  2006 Quantum Monte Carlo study of the Ne atom and the Ne+ ion. IP
24  2005 Scheme for adding electron-nucleus cusps to Gaussian orbitals. VMC
25  2005 Structure and stability of Ne+He(n): experiment and diffusion quantum Monte Carlo theory with "on the fly" electronic structure. DIM
26  2003 Quantum Monte Carlo study of the optical and diffusive properties of the vacancy defect in diamond. ---