Zobrazeno 1 - 10
of 43
pro vyhledávání: '"Tran, Lan Nguyen"'
Autor:
Tran, Nhan Tri, Tran, Lan Nguyen
Intermolecular charge-transfer (xCT) excited states important for various practical applications are challenging for many standard computational methods. It is highly desirable to have an affordable method that can treat xCT states accurately. In the
Externí odkaz:
http://arxiv.org/abs/2411.00251
Autor:
Hai, Vu Tuan, Viet, Nguyen Tan, Urbaneja, Jesus, Linh, Nguyen Vu, Tran, Lan Nguyen, Ho, Le Bin
In quantum computing, quantum compilation involves transforming information from a target unitary into a trainable unitary represented by a quantum circuit. Traditional quantum compilation optimizes circuits for a single target. However, many quantum
Externí odkaz:
http://arxiv.org/abs/2407.01010
Quantum chemical methods dealing with challenging systems while retaining low computational costs have attracted attention. In particular, many efforts have been devoted to developing new methods based on the second-order perturbation that may be the
Externí odkaz:
http://arxiv.org/abs/2310.18154
Autor:
Tran, Lan Nguyen, Neuscamman, Eric
The photo-ferrioxalate system (PFS), [Fe(III)(C$_2$O$_4$)]$^{3-}$, more than an exact chemical actinometer, has been extensively applied in wastewater and environment treatment. Despite many experimental efforts to improve clarity, important aspects
Externí odkaz:
http://arxiv.org/abs/2308.04932
Autor:
Le, Nhan Trong, Tran, Lan Nguyen
We propose an active-space approximation to reduce the quantum resources required for variational quantum eigensolver (VQE). Starting from the double exponential unitary coupled-cluster ansatz and employing the downfolding technique, we arrive at an
Externí odkaz:
http://arxiv.org/abs/2205.03539
Autor:
Tran, Lan Nguyen
Electron density distribution plays an essential role in predicting molecular properties. It is also a simple observable from which machine-learning models for molecular electronic structure can be derived. In the present work, we present the perform
Externí odkaz:
http://arxiv.org/abs/2203.16700
Autor:
Tran, Lan Nguyen
We present an extension of our one-body M{\o}ller-Plesset second-order perturbation (OBMP2) method for open-shell systems. We derived the OBMP2 Hamiltonian through the canonical transformation followed by the cumulant approximation to reduce many-bod
Externí odkaz:
http://arxiv.org/abs/2107.11260
Publikováno v:
Machine Learning: Science and Technology (2022)
Currently, quantum hardware is restrained by noises and qubit numbers. Thus, a quantum virtual machine that simulates operations of a quantum computer on classical computers is a vital tool for developing and testing quantum algorithms before deployi
Externí odkaz:
http://arxiv.org/abs/2107.10541
Autor:
Tran, Lan Nguyen, Neuscamman, Eric
We demonstrate that, rather than resorting to high-cost dynamic correlation methods, qualitative failures in excited-state potential energy surface predictions can often be remedied at no additional cost by ensuring that optimal molecular orbitals ar
Externí odkaz:
http://arxiv.org/abs/2006.09621
Autor:
Williams, Kiel T., Yao, Yuan, Li, Jia, Chen, Li, Shi, Hao, Motta, Mario, Niu, Chunyao, Ray, Ushnish, Guo, Sheng, Anderson, Robert J., Li, Junhao, Tran, Lan Nguyen, Yeh, Chia-Nan, Mussard, Bastien, Sharma, Sandeep, Bruneval, Fabien, van Schilfgaarde, Mark, Booth, George H., Chan, Garnet Kin-Lic, Zhang, Shiwei, Gull, Emanuel, Zgid, Dominika, Millis, Andrew, Umrigar, Cyrus J., Wagner, Lucas K.
Publikováno v:
Phys. Rev. X 10, 011041 (2020)
A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good agreement is attained between the 3 systematically converged methods,
Externí odkaz:
http://arxiv.org/abs/1910.00045