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。Explicitly Correlated Electrons in Molecules
Christof Haettig et al.
CHEMICAL REVIEWS (2012)
Challenges for Density Functional Theory
Aron J. Cohen et al.
CHEMICAL REVIEWS (2012)
The sign problem and population dynamics in the full configuration interaction quantum Monte Carlo method
J. S. Spencer et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Approaching the bulk limit with finite cluster calculations using local increments: The case of LiH
Hermann Stoll et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Multideterminant Wave Functions in Quantum Monte Carlo
Miguel A. Morales et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
A Simple, Exact Density-Functional-Theory Embedding Scheme
Frederick R. Manby et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Wavefunction-based electron correlation methods for solids
Carsten Mueller et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Full configuration interaction perspective on the homogeneous electron gas
James J. Shepherd et al.
PHYSICAL REVIEW B (2012)
A study of electron affinities using the initiator approach to full configuration interaction quantum Monte Carlo
D. M. Cleland et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH
Denis Usvyat et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Breaking the carbon dimer: The challenges of multiple bond dissociation with full configuration interaction quantum Monte Carlo methods
George H. Booth et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Improved hybrid functional for solids: The HSEsol functional
Laurids Schimka et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Natural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set
Andreas Grueneis et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Benchmark all-electron ab initio quantum Monte Carlo calculations for small molecules
Norbert Nemec et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Second-order Moller-Plesset perturbation theory applied to extended systems. II. Structural and energetic properties
Andreas Grueneis et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Approaching chemical accuracy using full configuration-interaction quantum Monte Carlo: A study of ionization potentials
George H. Booth et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo
Deidre Cleland et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Communications: Explicitly correlated second-order Moller-Plesset perturbation method for extended systems
Toru Shiozaki et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Logarithm second-order many-body perturbation method for extended systems
Yu-ya Ohnishi et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Comparison of the incremental and hierarchical methods for crystalline neon
S. J. Nolan et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2010)
Bulk and surface energetics of crystalline lithium hydride: Benchmarks from quantum Monte Carlo and quantum chemistry
S. J. Binnie et al.
PHYSICAL REVIEW B (2010)
Second-order Moller-Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set
M. Marsman et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
George H. Booth et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Calculation of properties of crystalline lithium hydride using correlated wave function theory
S. J. Nolan et al.
PHYSICAL REVIEW B (2009)
Pressure-induced diamond to β-tin transition in bulk silicon: A quantum Monte Carlo study
Wirawan Purwanto et al.
PHYSICAL REVIEW B (2009)
Assessing the performance of recent density functionals for bulk solids
Gabor I. Csonka et al.
PHYSICAL REVIEW B (2009)
Finite-size correction in many-body electronic structure calculations
Hendra Kwee et al.
PHYSICAL REVIEW LETTERS (2008)
Bond breaking with auxiliary-field quantum monte carlo
W. A. Al-Saidi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Fast local-MP2 method with density-fitting for crystals.: I.: Theory and algorithms
Lorenzo Maschio et al.
PHYSICAL REVIEW B (2007)
Beyond a Hartree-Fock description of crystalline solids: the case of lithium hydride
Silvia Casassa et al.
THEORETICAL CHEMISTRY ACCOUNTS (2007)
Inhomogeneous backflow transformations in quantum Monte Carlo calculations
P. Lopez Rios et al.
PHYSICAL REVIEW E (2006)
Computational complexity and fundamental limitations to fermionic quantum monte carlo simulations
M Troyer et al.
PHYSICAL REVIEW LETTERS (2005)
Atomic orbital Laplace-transformed second-order Moller-Plesset theory for periodic systems
PY Ayala et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Full configuration interaction benchmarking of coupled-cluster models for the lowest singlet energy surfaces of N2
H Larsen et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
分享论文
