Vaibhav Khanna

4PUBLICATIONS
8CO-AUTHORS
Condensed matter modelling and density functional theoryTheoretical quantum chemistryMetal cluster chemistryMain group metal chemistry
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Publications (4)

|Apr 29, 2025
Exchange-Correlation Potentials and Energy Densities through Orbital Averaging and Aufbau Integration.

Vaibhav Khanna, Bikash Kanungo, Jeffrey Hatch

|Jan 02, 2025
Examining the Impact of Local Constraint Violations on Energy Computations in DFT.

Vaibhav Khanna, Bikash Kanungo, Vikram Gavini

|Nov 11, 2022
Mn2 Dimers Encapsulated in Silicon Cages: A Complex Challenge to MC-SCF Theory.

Vaibhav Khanna, John Ewart McGrady

|Mar 03, 2022
Evolution of Vibrational Spectra in the Manganese-Silicon Clusters Mn2Si, n = 10, 12, and 13, and Cationic [Mn2Si13].

Vaibhav Khanna, Roshan Singh, Pieterjan Claes

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Frequent Collaborators

2 joint publications

John Ewart McGrady

1 joint publications

Minh Tho Nguyen

1 joint publications

André Fielicke

1 joint publications

Ewald Janssens