We investigate the accuracies of different coupled cluster levels in a finite model solid, the 14 electron spin- non-polarised uniform electron gas. For densities between rs = 0.5 a0 and rs = 5 a0 , we calculate ground state correlation energies with stochastic coupled cluster ranging from coupled cluster singles and doubles (CCSD) to coupled cluster including all excitations up to quintuples (CCSDTQ5). We find the need to add triple excitations for an accuracy of 0.01eV/electron beyond rs = 0.5 a0 . Quadruple excitations start being significant past rs = 3 a0 . At rs = 5 a0 , CCSD gives a correlation energy with a 16% error and CCSDT is in error by 2% compared to the CCSDTQ5 result. CCSDTQ5 gives an energy in agreement with full configurat...
In order to understand various local phenomena related to electronic phase separation discovered rec...
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation ener...
coupled cluster We give a detailed description of recent developments in reduced scaling ab initio m...
In the last decade, stochastic versions of quantum chemistry methods such as coupled cluster Monte C...
We investigate how the coupled cluster method at the level of doubles and triples amplitudes contrib...
A recent application of the coupled-cluster expansion to the three-dimensional electron gas is exten...
This thesis describes the application of coupled-cluster theory to model systems of metallic solids ...
Algorithms for calculating singlet excitation energies in the coupled cluster singles and doubles (C...
The correlation energy and antiparallel spin pair correlation function of the two-dimensional electr...
<div><p>We present the results of a coupled-cluster basis-set convergence study on 12 eight-valence-...
We use ab initio coupled-cluster theory to compute the spectral function of the uniform electron gas...
Coupled cluster theory is a vital cornerstone of electronic structure theory and is being applied to...
We calculate the ground-state energy, pair correlation function, static structure factor, and moment...
We present a combination of quantum Monte Carlo methods and a finite-size extrapolation framework wi...
Recent developments in ab initio coupled cluster (CC) theory and correlation consistent basis sets h...
In order to understand various local phenomena related to electronic phase separation discovered rec...
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation ener...
coupled cluster We give a detailed description of recent developments in reduced scaling ab initio m...
In the last decade, stochastic versions of quantum chemistry methods such as coupled cluster Monte C...
We investigate how the coupled cluster method at the level of doubles and triples amplitudes contrib...
A recent application of the coupled-cluster expansion to the three-dimensional electron gas is exten...
This thesis describes the application of coupled-cluster theory to model systems of metallic solids ...
Algorithms for calculating singlet excitation energies in the coupled cluster singles and doubles (C...
The correlation energy and antiparallel spin pair correlation function of the two-dimensional electr...
<div><p>We present the results of a coupled-cluster basis-set convergence study on 12 eight-valence-...
We use ab initio coupled-cluster theory to compute the spectral function of the uniform electron gas...
Coupled cluster theory is a vital cornerstone of electronic structure theory and is being applied to...
We calculate the ground-state energy, pair correlation function, static structure factor, and moment...
We present a combination of quantum Monte Carlo methods and a finite-size extrapolation framework wi...
Recent developments in ab initio coupled cluster (CC) theory and correlation consistent basis sets h...
In order to understand various local phenomena related to electronic phase separation discovered rec...
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation ener...
coupled cluster We give a detailed description of recent developments in reduced scaling ab initio m...