Related papers: Three Lagrangians for the complete-active space co…
Coupled cluster theory is a vital cornerstone of electronic structure theory and is being applied to ever-larger systems. Stochastic approaches to quantum chemistry have grown in importance and offer compelling advantages over traditional…
Three variational approaches, the hyperspherical-harmonics, Gaussian-basis and Lagrange-mesh methods involving different coordinate systems, are compared in studies of $0^+$ bound-state energies in 3$\alpha$ models. Calculations are…
We extend the light-front coupled-cluster (LFCC) method to include zero modes explicitly, in order to be able to compute vacuum structure in theories with symmetry breaking. Applications to phi^3 and phi^4 theories are discussed as…
Applications of variational methods are typically restricted to conservative systems. Some extensions to dissipative systems have been reported too but require ad hoc techniques such as the artificial doubling of the dynamical variables.…
In quantum chemistry, one of the most important challenges is the static correlation problem when solving the electronic Schr\"odinger equation for molecules in the Born--Oppenheimer approximation. In this article, we analyze the tailored…
We introduce a novel algorithm that leverages stochastic sampling techniques to compute the perturbative triples correction in the coupled-cluster (CC) framework. By combining elements of randomness and determinism, our algorithm achieves a…
While limited coupled cluster theory is \textit{formally} nonvariational, it is not broadly appreciated whether this is a major issue \textit{in practice}. We carried out a detailed comparison with \textit{de facto} full CI energies for a…
We construct several variational integrators--integrators based on a discrete variational principle--for systems with Lagrangians of the form L = L_A + epsilon L_B, with epsilon << 1, where L_A describes an integrable system. These…
We demonstrate that the effective Hamiltonians obtained with the downfolding procedure based on double unitary coupled cluster (DUCC) ansatz can be used in the context of Greens function coupled cluster (GFCC) formalism to calculate…
We propose a systematic generating procedure to construct free Lagrangians for massive, massless and partially massless, totally-symmetric tensor fields on $AdS_{d+1}$ starting from the BRST Lagrangian description of massless fields in the…
A complementary approach, derived from (a) higher dimensional anti--de Sitter (AdS) space, (b) light-front quantization and (c) the invariance properties of the full conformal group in one dimension leads to a nonperturbative relativistic…
We develop and numerically analyze an algebraic-geometric framework for spin-adapted coupled-cluster (CC) theory. Since the electronic Hamiltonian is SU(2)-invariant, physically relevant quantum states lie in the spin singlet sector. We…
The Coupled-Cluster theory is one of the most successful high precision methods used to solve the stationary Schr\"odinger equation. In this article, we address the mathematical foundation of this theory with focus on the advances made in…
We study quantum caustics in $d$-dimensional systems with quadratic Lagrangians. Based on Schulman's procedure in the path-integral we derive the transition amplitude on caustics in a closed form for generic multiplicity $f$, and thereby…
The ground state pairing correlations in finite fermionic systems are described with a high degree of accuracy within a variational approach based on a combined coupled-cluster and particle-number-projected BCS ansatz. The flexibility of…
A new method that accurately describes strongly correlated states and captures dynamical correlation is presented. It is derived as a modification of coupled-cluster theory with single and double excitations (CCSD) through consideration of…
We propose a general scheme to construct multiple Lagrangians for completely integrable non-linear evolution equations that admit multi- Hamiltonian structure. The recursion operator plays a fundamental role in this construction. We use a…
We present an extension of the pair coupled cluster doubles (p-CCD) method to quasiparticles and apply it to the attractive pairing Hamiltonian. Near the transition point where number symmetry gets spontaneously broken, the proposed…
Introducing an active space approximation is inevitable for the quantum computations of chemical systems. However, this approximation ignores the electron correlations related to non-active orbitals. Here, we propose a computational method…
For integrable systems in the sense of multidimensional consistency (MDC) we can consider the Lagrangian as a form, which is closed on solutions of the equations of motion. For 2-dimensional systems, described by partial difference…