Wavefunction Solver — new calculation

Structure

Import an Avogadro file or generate a starting geometry.

No file? Generate from a formula

Uses a curated or deterministic structure when one is available.

drag to orbit · wheel to zoom

Composition—

Structure— atoms

Valence (ccECP)—

Calculation

Single stateOne multiplicity Compare spin statesSpin-exact D2 · automatic Bond scanEnergy curve

Calculate one electronic state at the submitted geometry.

Net charge q

Neutral
— valence e⁻

Multiplicity 2S + 1

S = —
target S² = —

Budget is routed from chemistry family and system size.

Adapt steps

Cost—

Wall clock—

Coordinates and cleanup tools (Å)

Element	x	y	z	Remove

Anyone can view your runs with your result link.

Every account's calculations and studies, newest first.