相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。GeSe: Optical Spectroscopy and Theoretical Study of a van der Waals Solar Absorber
Philip A. E. Murgatroyd et al.
CHEMISTRY OF MATERIALS (2020)
QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo
P. R. C. Kent et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
A first-principles Quantum Monte Carlo study of two-dimensional (2D) GaSe
Daniel Wines et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Diffusion quantum Monte Carlo and GW study of the electronic properties of monolayer and bulk hexagonal boron nitride
R. J. Hunt et al.
PHYSICAL REVIEW B (2020)
Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs
Yann Garniron et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
2D GeSe/SnS2(SnSe2) broken-gap heterostructures for tunnel field-effect transistors applications
Tianxing Wang et al.
JOURNAL OF PHYSICS D-APPLIED PHYSICS (2019)
A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions
Guangming Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
A data ecosystem to support machine learning in materials science
Ben Blaiszik et al.
MRS COMMUNICATIONS (2019)
PYSCF: the Python-based simulations of chemistry framework
Qiming Sun et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids
Jeongnim Kim et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2018)
Optical and Electrical Properties of GeSe and SnSe Single Crystals
Yongshin Kim et al.
JOURNAL OF THE KOREAN PHYSICAL SOCIETY (2018)
Zirconia and hafnia polymorphs: Ground-state structural properties from diffusion Monte Carlo
Hyeondeok Shin et al.
PHYSICAL REVIEW MATERIALS (2018)
Gaussian process based optimization of molecular geometries using statistically sampled energy surfaces from quantum Monte Carlo
R. Archibald et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Nature of Interlayer Binding and Stacking of sp-sp2 Hybridized Carbon Layers: A Quantum Monte Carlo Study
Hyeondeok Shin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
A type-II GeSe/SnS heterobilayer with a suitable direct gap, superior optical absorption and broad spectrum for photovoltaic applications
Congxin Xia et al.
JOURNAL OF MATERIALS CHEMISTRY A (2017)
Investigation of Physical and Electronic Properties of GeSe for Photovoltaic Applications
Shun-Chang Liu et al.
ADVANCED ELECTRONIC MATERIALS (2017)
Electronic properties of doped and defective NiO: A quantum Monte Carlo study
Hyeondeok Shin et al.
PHYSICAL REVIEW MATERIALS (2017)
The Materials Data Facility: Data Services to Advance Materials Science Research
B. Blaiszik et al.
JOM (2016)
Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo
Juan A. Santana et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
GeSe monolayer semiconductor with tunable direct band gap and small carrier effective mass
Yonghong Hu et al.
APPLIED PHYSICS LETTERS (2015)
The Nature of the Inter layer Interaction in Bulk and Few-Layer Phosphorus
L. Shulenburger et al.
NANO LETTERS (2015)
Electronic structure of germanium selenide investigated using ultra-violet photo-electron spectroscopy
P. Mishra et al.
SEMICONDUCTOR SCIENCE AND TECHNOLOGY (2015)
Computational prediction of two-dimensional group-IV mono-chalcogenides
Arunima K. Singh et al.
APPLIED PHYSICS LETTERS (2014)
Cohesion energetics of carbon allotropes: Quantum Monte Carlo study
Hyeondeok Shin et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Practical Schemes for Accurate Forces in Quantum Monte Carlo
S. Moroni et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Colloidal Synthesis and Electrical Properties of GeSe Nanobelts
Dimitri D. Vaughn et al.
CHEMISTRY OF MATERIALS (2012)
Algorithmic differentiation and the calculation of forces by quantum Monte Carlo
Sandro Sorella et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Single-Crystal Colloidal Nanosheets of GeS and GeSe
Dimitri D. Vaughn et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations
M. Burkatzki et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Energy-consistent pseudopotentials for quantum monte carlo calculations
M. Burkatzki et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Quantum Monte Carlo simulations of solids
WMC Foulkes et al.
REVIEWS OF MODERN PHYSICS (2001)