scholarly journals Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes

2017 ◽  
Vol 146 (24) ◽  
pp. 244102 ◽  
Author(s):  
Alexander Yu. Sokolov ◽  
Sheng Guo ◽  
Enrico Ronca ◽  
Garnet Kin-Lic Chan
2019 ◽  
Vol 205 ◽  
pp. 03009
Author(s):  
Lars-Hendrik Frahm ◽  
Daniela Pfannkuche

We propose a new method to describe electron dynamics in molecules on the scale of femtoseconds. It is based on factorizing the electronic wave function into a matrix product state and using this factorization to solve the time dependent Schrodinger equation.


2011 ◽  
Vol 13 (9) ◽  
pp. 093041 ◽  
Author(s):  
Bing-Quan Hu ◽  
Xi-Jing Liu ◽  
Jin-Hua Liu ◽  
Huan-Qiang Zhou

Quantum ◽  
2019 ◽  
Vol 3 ◽  
pp. 116 ◽  
Author(s):  
Aidan Dang ◽  
Charles D. Hill ◽  
Lloyd C. L. Hollenberg

We detail techniques to optimise high-level classical simulations of Shor's quantum factoring algorithm. Chief among these is to examine the entangling properties of the circuit and to effectively map it across the one-dimensional structure of a matrix product state. Compared to previous approaches whose space requirements depend on r, the solution to the underlying order-finding problem of Shor's algorithm, our approach depends on its factors. We performed a matrix product state simulation of a 60-qubit instance of Shor's algorithm that would otherwise be infeasible to complete without an optimised entanglement mapping.


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