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The Molpro quantum chemistry package
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Jeffrey R. Reimers et al.
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Tatiana Korona et al.
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Many-body perturbation theory calculations using the yambo code
D. Sangalli et al.
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Mehran Kianinia et al.
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Native point defects and impurities in hexagonal boron nitride
L. Weston et al.
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H. X. Jiang et al.
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P. Giannozzi et al.
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Role of hydrogen carrier gas on the growth of few layer hexagonal boron nitrides by metal-organic chemical vapor deposition
Dong Yeong Kim et al.
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Michiru Nishita et al.
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Probing carbon impurities in hexagonal boron nitride epilayers
M. R. Uddin et al.
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X. Z. Du et al.
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Sumin Choi et al.
ACS APPLIED MATERIALS & INTERFACES (2016)
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Toan Trong Tran et al.
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A.K. Dąbrowska et al.
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X. Z. Du et al.
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Entanglement entropy of electronic excitations
Felix Plasser
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G. Cassabois et al.
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T. Q. P. Vuong et al.
PHYSICAL REVIEW LETTERS (2016)
2D materials and van der Waals heterostructures
K. S. Novoselov et al.
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Temperature dependence of Raman-active phonons and anharmonic interactions in layered hexagonal BN
Ramon Cusco et al.
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The origin of deep-level impurity transitions in hexagonal boron nitride
X. Z. Du et al.
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Oscillator strengths, first-order properties, and nuclear gradients for local ADC(2)
Martin Schuetz
JOURNAL OF CHEMICAL PHYSICS (2015)
Tuning the optical response in carbon doped boron nitride nanodots
Junais Habeeb Mokkath et al.
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S. Majety et al.
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Felix Plasser et al.
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Application of Hermitian time-dependent coupled-cluster response Ansatze of second order to excitation energies and frequency-dependent dipole polarizabilities
Gero Waelz et al.
PHYSICAL REVIEW A (2012)
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Ewa Papajak et al.
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Atomic Resolution Imaging and Topography of Boron Nitride Sheets Produced by Chemical Exfoliation
Jamie H. Warner et al.
ACS NANO (2010)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Atom-by-atom structural and chemical analysis by annular dark-field electron microscopy
Ondrej L. Krivanek et al.
NATURE (2010)
yambo: An ab initio tool for excited state calculations
Andrea Marini et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
A multistate local coupled cluster CC2 response method based on the Laplace transform
Danylo Kats et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Transition strengths and first-order properties of excited states from local coupled cluster CC2 response theory with density fitting
Danylo Kats et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Vibrational properties of hexagonal boron nitride:: Inelastic X-ray scattering and ab initio calculations
J. Serrano et al.
PHYSICAL REVIEW LETTERS (2007)
Assessment of a long-range corrected hybrid functional
Oleg A. Vydrov et al.
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Field nanoemitters:: Ultrathin BN nanosheets protruding from Si3N4 nanowires
Yingchun Zhu et al.
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A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)
Natural transition orbitals
RL Martin
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Local treatment of electron excitations in the EOM-CCSD method
T Korona et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
CC2 excitation energy calculations on large molecules using the resolution of the identity approximation
C Hättig et al.
JOURNAL OF CHEMICAL PHYSICS (2000)