Coupled Cluster Methods - Nanotechnology

Relevant Publications

Expanding Horizons in Quantum Chemical Studies: The Versatile Power of MRSF-TDDFT.

Issue Release: 2025

Toward Accurate Calculation of Excitation Energies on Quantum Computers with ΔADAPT-VQE: A Case Study of BODIPY Derivatives.

Issue Release: 2024

High-Temperature Line List of Phosphaethyne (HCP).

Issue Release: 2024

The accuracies of effective interactions in downfolding coupled-cluster approaches for small-dimensionality active spaces.

Issue Release: 2024

Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations.

Issue Release: 2024

Subspace Methods for the Simulation of Molecular Response Properties on a Quantum Computer.

Issue Release: 2024

Changes in Cortical Activation by Transcranial Magnetic Stimulation Due to Coil Rotation Are Not Attributable to Cranial Muscle Activation.

Issue Release: 2024

Electronic properties and collision cross sections of AgOH (, = 1-4) aerosol ionic clusters.

Issue Release: 2024

Chelate Complexes of 3d Transition Metal Ions─A Challenge for Electronic-Structure Methods?

Issue Release: 2024

A bivariational, stable, and convergent hierarchy for time-dependent coupled cluster with adaptive basis sets.

Issue Release: 2024

Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans\' theorem: An accurate description of methane photolysis.

Issue Release: 2024

Coupled-cluster treatment of complex open-shell systems: the case of single-molecule magnets.

Issue Release: 2024

Reference Energies for Valence Ionizations and Satellite Transitions.

Issue Release: 2024

Calculation of Some Low-Lying Electronic Excitations of Barium Monofluoride Using the Equation of Motion (EOM)-CC3 Method with an Effective Core Potential Approach.

Issue Release: 2024

Complete Active Space Iterative Coupled Cluster Theory.

Issue Release: 2024

Modeling the effect of substituents on the electronically excited states of indole derivatives.

Issue Release: 2024

Equation-of-motion regularized orbital-optimized second-order perturbation theory with the density-fitting approximation.

Issue Release: 2024

Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories.

Issue Release: 2024

A refreshing approach to understanding the action on DNA of vanadium (IV) and (V) complexes derived from the anticancer VCpCl.

Issue Release: 2024

Vibrational and Rovibrational Spectroscopic Data for the Ground and First-Excited States of Phosgene (COCl), Formic Acid (HCOOH), and Chloroformic Acid (ClCOOH).

Issue Release: 2024

How are Nanoparticles Functionalized for Targeting?

How are Micro and Nanostructures Fabricated?

What are Sustainable Materials in Nanotechnology?

What Are the Future Prospects of Nanotechnology in the Bloodstream?

What Are the Advantages of Using the Liquid Phase in Nanotechnology?

How Does NMSP Benefit the Nanotechnology Industry?

What are Adaptive Feedback Systems?

How Do Thiols Contribute to Drug Delivery Systems?

What Are the Key Challenges in 5nm Manufacturing?

How Does Crystalmaker Work?

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