Calculation of the static and dynamical correlation energy of pseudo-one-dimensional beryllium systems via a many-body expansion

Tensor product methods and entanglement optimization forab initioquantum chemistry

(2015) Szilárd Szalay et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

On the calculation of complete dissociation curves of closed-shell pseudo-onedimensional systems via the complete active space method of increments

(2015) E. Fertitta et al.   JOURNAL OF CHEMICAL PHYSICS

The ab-initio density matrix renormalization group in practice

(2015) Roberto Olivares-Amaya et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Improved pair approximations in local coupled-cluster methods

(2015) Max Schwilk et al.   JOURNAL OF CHEMICAL PHYSICS

Tree Tensor Network State with Variable Tensor Order: An Efficient Multireference Method for Strongly Correlated Systems

(2015) V. Murg et al.   Journal of Chemical Theory and Computation

The density matrix renormalization group for ab initio quantum chemistry

(2014) Sebastian Wouters et al.   EUROPEAN PHYSICAL JOURNAL D

Stochastic, real-space, imaginary-time evaluation of third-order Feynman–Goldstone diagrams

(2014) Soohaeng Yoo Willow et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient and accurate treatment of weak pairs in local CCSD(T) calculations. II. Beyond the ring approximation

(2014) Martin Schütz et al.   JOURNAL OF CHEMICAL PHYSICS

First Multireference Correlation Treatment of Bulk Metals

(2014) Elena Voloshina et al.   Journal of Chemical Theory and Computation

Beryllium Dimer: A Bond Based on Non-Dynamical Correlation

(2014) Muammar El Khatib et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Investigation of metal–insulator-like transition through theab initiodensity matrix renormalization group approach

(2014) E. Fertitta et al.   PHYSICAL REVIEW B

A FCI benchmark on beryllium dimer: The lowest singlet and triplet states

(2013) Wissam Helal et al.   CHEMICAL PHYSICS LETTERS

Analyzing and modeling the interaction potential of the ground-state beryllium dimer

(2013) X. W. Sheng et al.   PHYSICAL REVIEW A

Quantum Monte Carlo with coupled-cluster wave functions

(2013) Alessandro Roggero et al.   PHYSICAL REVIEW B

The sign problem and population dynamics in the full configuration interaction quantum Monte Carlo method

(2012) J. S. Spencer et al.   JOURNAL OF CHEMICAL PHYSICS

Multideterminant Wave Functions in Quantum Monte Carlo

(2012) Miguel A. Morales et al.   Journal of Chemical Theory and Computation

Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study

(2012) Deidre Cleland et al.   Journal of Chemical Theory and Computation

Cryscor: a program for the post-Hartree–Fock treatment of periodic systems

(2012) Cesare Pisani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Local correlation method for metals: Benchmarks for surface and adsorption energies

(2012) Elena Voloshina   PHYSICAL REVIEW B

Partial node configuration-interaction Monte Carlo as applied to the Fermi polaron

(2012) M. Kolodrubetz et al.   PHYSICAL REVIEW B

Full configuration interaction perspective on the homogeneous electron gas

(2012) James J. Shepherd et al.   PHYSICAL REVIEW B

Semistochastic Projector Monte Carlo Method

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

Bonding in Beryllium Clusters

(2011) Michael C. Heaven et al.   Annual Review of Physical Chemistry

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

Local correlation methods for solids: Comparison of incremental and periodic correlation calculations for the argon fcc crystal

(2011) Carsten Müller et al.   PHYSICAL REVIEW B

The density-matrix renormalization group in the age of matrix product states

(2010) Ulrich Schollwöck   ANNALS OF PHYSICS

Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg

(2010) Brian P. Prascher et al.   THEORETICAL CHEMISTRY ACCOUNTS

The Density Matrix Renormalization Group Algorithm in Quantum Chemistry

(2010) Konrad Heinrich Marti et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & 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

Can incremental expansions cope with high-order coupled-cluster contributions?

(2009) Hermann Stoll   MOLECULAR PHYSICS

The method of local increments for the calculation of adsorption energies of atoms and small molecules on solid surfaces : Part I. A single Cu atom on the polar surfaces of ZnO

(2009) Ilka Schmitt et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Beryllium Dimer--Caught in the Act of Bonding

(2009) J. M. Merritt et al.   SCIENCE

An incremental coupled-cluster approach to metallic lithium

(2008) Hermann Stoll et al.   CHEMICAL PHYSICS LETTERS

The ground state correlation energy of the random phase approximation from a ring coupled cluster doubles approach

(2008) Gustavo E. Scuseria et al.   JOURNAL OF CHEMICAL PHYSICS

Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications

(2008) Cesare Pisani et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY