AnharmoniCAOS

Given dynamical coefficients and/or derivatives of the ionic potential with respect to normal (harmonic) vibrational modes, compute anharmonic energies and electric dipole-permitted transitions and intensities using nearly-degenerate perturbation theory (i.e. properly accounting for Fermi and Darling-Dennison resonances).

Project Activity

See All Activity >

License

GNU General Public License version 3.0 (GPLv3)

Follow AnharmoniCAOS

AnharmoniCAOS Web Site

Other Useful Business Software

Error to trace to log to deploy. One click. No SSH.

Catch the cause before the pager goes off.

AppSignal links every error to the trace, the trace to the log, the log to the deploy that shipped it.

Free 30 days.

Rate This Project

User Reviews

Be the first to post a review of AnharmoniCAOS!

Additional Project Details

Intended Audience

Science/Research

User Interface

Console/Terminal

Programming Language

Related Categories

C Molecular Science Software, C Physics Software, C Quantum Computing Software

Registered

2012-05-21

Similar Business Software

Lockbox LIMS

A sample tracking, test result capture, and inventory management cloud LIMS for life science research, biotech/NGS, and industrial QC labs. Includes regulatory support for CLIA, HIPAA, Part 11, and ISO 17025. Nothing is more critical to a lab’s success than the quality, security, and...

See Software
QBench

The modern, flexible, easy-to-use LIMS. QBench enables our customers to get a LIMS up and running faster. Automate your entire lab with our developer-friendly API, Inventory Management, Customer Portal, Billing, and Quality Management System modules. QBench is a cloud-based Laboratory...

See Software
SAP S/4HANA Cloud Public Edition

SAP Cloud ERP is the premier ERP solution for growth-focused organizations. Seamlessly integrating AI, and predictive analytics, it empowers businesses to digitally transform and streamline processes end to end. Leveraging built-in industry best practices, SAP Cloud ERP accelerates...

See Software
Qualio

Qualio is the leading quality and compliance platform built exclusively for emerging life sciences companies. MedTech, pharma, biotech, and diagnostics teams use Qualio to standardize quality processes, connect them to regulatory obligations, and gain real-time visibility into compliance...

See Software
RegDesk

RegDesk is a Regulatory Information Management System (RIMS) that helps medical device companies manage global regulatory submissions, product registrations, and compliance in one centralized platform. It streamlines regulatory workflows, organizes regulatory data, and provides global regulatory...

See Software
Calira

Calira is an equipment booking and management platform for shared R&D lab equipment. It replaces the shared spreadsheets, Outlook calendars, paper signup sheets, and other improvised systems that most labs use to manage access to shared instruments. Labs use Calira to track instrument...

See Software