In this paper, the symmetry property of time reversal, which is a consequence of the fundamental quantum-mechanical microreversibility principle, is analyzed in the context of relativistic open-shell and multireference coupled cluster theory. The fact is discussed that in projective theories, in contrast to variational theories such as configuration interaction models, the implementation of time-reversal symmetry is far less straightforward and even depends on the projective model theory in question. An operator basis of time reversal even $n$ -body operators is introduced which allows for the formulation of a fully time-reversal-adapted and practical general coupled cluster theory, i.e., covering open-shell models and various types of multireference approaches. The resulting model theory is noncommuting but truncating, albeit at a higher order of commutator nesting.In this paper, the symmetry property of time reversal, which is a consequence of the fundamental quantum-mechanical microreversibility principle, is analyzed in the context of relativistic open-shell and multireference coupled cluster theory. The fact is discussed that in projective theories, in contrast to variational theories such as configuration interaction models, the implementation of time-reversal symmetry is far less straightforward and even depends on the projective model theory in question. An operator basis of time reversal even $n$-body operators is introduced which allows for the formulation of a fully time-reversal-adapted and practical general coupled cluster theory, i.e., covering open-shell models and various types of multireference approaches. The resulting model theory is noncommuting but truncating, albeit at a higher order of commutator nesting.

Physical Review AJun 4, 200810 citations

Fermions in interaction with time-dependent fields

P. Falkensteiner, Harald Grosse

Nuclear Physics BSep 1, 19888 citations

Operators in a relativistic fock space for fermions

Egon Marx

International Journal of Theoretical PhysicsOct 1, 19722 citations

Majorana-Time-Reversal Symmetries: A Fundamental Principle for Sign-Problem-Free Quantum Monte Carlo Simulations

Zixiang Li, Yi‐Fan Jiang, Hong Yao

A fundamental open issue in physics is whether and how the fermion sign problem in quantum Monte Carlo (QMC) simulations can be solved generically. Here, we show that Majorana-time-reversal (MTR) symmetries can provide a unifying principle to solve the fermion sign problem in interacting fermionic models. By systematically classifying Majorana-bilinear operators according to the anticommuting MTR symmetries they respect, we rigorously prove that there are two and only two fundamental symmetry classes which are sign-problem-free and which we call the "Majorana class" and "Kramers class," respectively. Novel sign-problem-free models in the Majorana class include interacting topological superconductors and interacting models of charge-4e superconductors. We believe that our MTR unifying principle could shed new light on sign-problem-free QMC simulation on strongly correlated systems and interacting topological matters.A fundamental open issue in physics is whether and how the fermion sign problem in quantum Monte Carlo (QMC) simulations can be solved generically. Here, we show that Majorana-time-reversal (MTR) symmetries can provide a unifying principle to solve the fermion sign problem in interacting fermionic models. By systematically classifying Majorana-bilinear operators according to the anticommuting MTR symmetries they respect, we rigorously prove that there are two and only two fundamental symmetry classes which are sign-problem-free and which we call the "Majorana class" and "Kramers class," respectively. Novel sign-problem-free models in the Majorana class include interacting topological superconductors and interacting models of charge-4e superconductors. We believe that our MTR unifying principle could shed new light on sign-problem-free QMC simulation on strongly correlated systems and interacting topological matters.

arXiv:1601.05780Physical Review LettersDec 23, 2016127 citations

On the theory of fermion density operators. I

J. I. Horváth, I.K. Gyémánt

Acta Physica Academiae Scientiarum HungaricaeDec 1, 19690 citations

n

-body operators is introduced which allows for the formulation of a fully time-reversal-adapted and practical general coupled cluster theory, i.e., covering open-shell models and various types of multireference approaches. The resulting model theory is noncommuting but truncating, albeit at a higher order of commutator nesting.