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Accurate characterization of the lowest triplet potential energy surface of SO2 with a coupled cluster method

scientific article published on 01 April 2019

Accurate quantum dynamics calculations using symmetrized Gaussians on a doubly dense Von Neumann lattice ⬇️

artículo científico publicado el 14 de diciembre de 2012

An algorithm to find (and plug) "holes" in multi-dimensional surfaces

scientific article published on 01 June 2020

Comment on "Calculated vibrational states of ozone up to dissociation" [J. Chem. Phys. 144, 074302 (2016)]

scientific article published on 01 May 2020

Exact bound rovibrational spectra of the neon tetramer

scientific article published on 01 November 2019

Exact matrix elements for general two-body central-force interactions, expressed as sums of products

Full-dimensional Schrödinger wavefunction calculations using tensors and quantum computers: the Cartesian component-separated approach

artículo científico publicado en 2022

Hitting the Trifecta: How to Simultaneously Push the Limits of Schrödinger Solution with Respect to System Size, Convergence Accuracy, and Number of Computed States

artículo científico publicado en 2021

On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: considerations of symmetry, accuracy, and simplicity

artículo científico publicado en 2020

Quantum dynamics of hydrogen interacting with single-walled carbon nanotubes: Multiple H-atom adsorbates ⬇️

artículo científico publicado el 21 de febrero de 2011

Using phase-space Gaussians to compute the vibrational states of OCHCO

artículo científico publicado en 2019

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