Binding curve of the beryllium dimer using similarity-transformed FCIQMC: Spectroscopic accuracy with triple-zeta basis sets

Ab initio Potential Energy Curve for the Ground State of Beryllium Dimer

(2019) Michał Lesiuk et al.   Journal of Chemical Theory and Computation

Similarity transformation of the electronic Schrödinger equation via Jastrow factorization

(2019) Aron J. Cohen et al.   JOURNAL OF CHEMICAL PHYSICS

OpenMolcas: From Source Code to Insight

(2019) Ignacio Fdez. Galván et al.   Journal of Chemical Theory and Computation

Combining the Transcorrelated Method with Full Configuration Interaction Quantum Monte Carlo: Application to the Homogeneous Electron Gas

(2018) Hongjun Luo et al.   Journal of Chemical Theory and Computation

Application of the CC(P;Q) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer

(2018) Ilias Magoulas et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Exciting Determinants in Quantum Monte Carlo: Loading the Dice with Fast, Low-Memory Weights

(2018) Verena A. Neufeld et al.   Journal of Chemical Theory and Computation

Py SCF: the Python-based simulations of chemistry framework

(2017) Qiming Sun et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and application

(2015) N. S. Blunt et al.   JOURNAL OF CHEMICAL PHYSICS

Spectroscopic accuracy directly from quantum chemistry: Application to ground and excited states of beryllium dimer

(2014) Sandeep Sharma et al.   JOURNAL OF CHEMICAL PHYSICS

Direct-potential-fit analyses yield improved empirical potentials for the ground XΣg+1 state of Be2

(2014) Vladimir V. Meshkov et al.   JOURNAL OF CHEMICAL PHYSICS

Semistochastic Projector Monte Carlo Method

(2012) F. R. Petruzielo et al.   PHYSICAL REVIEW LETTERS

Explicitly Correlated R12/F12 Methods for Electronic Structure

(2011) Liguo Kong et al.   CHEMICAL REVIEWS

The ground-state potential energy function of a beryllium dimer determined using the single-reference coupled-cluster approach

(2011) Jacek Koput   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo

(2010) Deidre Cleland et al.   JOURNAL OF CHEMICAL PHYSICS

Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space

(2009) George H. Booth et al.   JOURNAL OF CHEMICAL PHYSICS

Transcorrelated Method: Another Possible Way towards Electronic Structure Calculation of Solids

(2009) Shinji Tsuneyuki   PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT

On the Elusive Twelfth Vibrational State of Beryllium Dimer

(2009) K. Patkowski et al.   SCIENCE

Beryllium Dimer--Caught in the Act of Bonding

(2009) J. M. Merritt et al.   SCIENCE