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Authors whose works are in public domain in at least one jurisdiction

List of works by Nicholas J Mayhall

A Combined Spin-Flip and IP/EA Approach for Handling Spin and Spatial Degeneracies: Application to Double Exchange Systems

scientific article published on 12 March 2019

An adaptive variational algorithm for exact molecular simulations on a quantum computer

scientific article published on 08 July 2019

Automatic Partition of Orbital Spaces Based on Singular Value Decomposition in the Context of Embedding Theories

scientific article published on 23 January 2019

Coupled Electron Pair-Type Approximations for Tensor Product State Wave Functions

scientific article published on 25 July 2022

Is the Trotterized UCCSD Ansatz Chemically Well-Defined?

scientific article published on 24 December 2019

Multireference Ab Initio Studies of Magnetic Properties of Terbium-Based Single-Molecule Magnets

scientific article published on 06 August 2019

Simple Rule To Predict Boundedness of Multiexciton States in Covalently Linked Singlet-Fission Dimers.

scientific article published on 23 October 2017

Simple and Efficient Truncation of Virtual Spaces in Embedded Wave Functions via Concentric Localization

scientific article published on 11 October 2019

Spin-Flip Pair-Density Functional Theory: A Practical Approach To Treat Static and Dynamical Correlations in Large Molecules

scientific article published on 16 April 2021

Spin-Orbit Matrix Elements for a Combined Spin-Flip and IP/EA approach

scientific article published on 28 April 2020

Using Higher-Order Singular Value Decomposition To Define Weakly Coupled and Strongly Correlated Clusters: The n-Body Tucker Approximation.

scientific article published on 22 August 2017

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