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The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates.
On lines and planes of closest fit to systems of points in space
Karl Pearson · 1901
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Harold Hotelling · 1933
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The activated complex in chemical reactions
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Bootstrap methods: Another look at the jackknife
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A fast quantum mechanical algorithm for database search
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Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory
Attila Szabo and Neil S. Ostlund · 1996
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Polynomial-time algorithms for prime factorization and discrete logarithms on a quantum computer
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Simulated quantum computation of molecular energies
Alán Aspuru-Guzik, Anthony D. Dutoi, Peter J. Love, and Martin Head-Gordon · 2005
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Optimal quantum measurements of expectation values of observables
Emanuel Knill, Gerardo Ortiz, and Rolando D. Somma · 2007
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Deflation methods for sparse PCA
Lester W. Mackey · 2009
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The swap test and the Hong-Ou-Mandel effect are equivalent
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Quantum principal component analysis
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A variational eigenvalue solver on a photonic quantum processor
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Progress towards practical quantum variational algorithms
Dave Wecker, Matthew B. Hastings, and Matthias Troyer · 2015
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The theory of variational hybrid quantum-classical algorithms
Jarrod R McClean, Jonathan Romero, Ryan Babbush, and Alán Aspuru-Guzik · 2016
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Scalable quantum simulation of molecular energies
P. J. J. O’Malley, R. Babbush, I. D. Kivlichan, J. Romero, J. R. McClean, R. Barends, J. Kelly, P. Roushan, A. Tranter, N. Ding, B. Campbell, Y. Chen, Z. Chen, B. Chiaro, A. Dunsworth, A. G. Fowler, E. Jeffrey, E. Lucero, A. Megrant, J. Y. Mutus, M. Neeley, C. Neill, C. Quintana, D. Sank, A. Vainsencher, J. Wenner, T. C. White, P. V. Coveney, P. J. Love, H. Neven, A. Aspuru-Guzik, and J. M. Martinis · 2016
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Variational quantum simulation of imaginary time evolution with applications in chemistry and beyond
Sam McArdle, Suguru Endo, Ying Li, Simon Benjamin, and Xiao Yuan · 2018
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Error mitigation for short-depth quantum circuits
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Low-cost error mitigation by symmetry verification
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Learning the quantum algorithm for state overlap
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Computation of molecular spectra on a quantum processor with an error-resilient algorithm
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Practical quantum error mitigation for near-future applications
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Quantum simulation of electronic structure with linear depth and connectivity
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