@galihru/mnp-material 0.1.0

package/README.md

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+# @galihru/mnp-material
+
+Scientific dielectric-response models for plasmonic simulations.
+
+Implemented formulation (Drude model):
+
+$$
+\varepsilon(\omega)=\varepsilon_\infty-\frac{\omega_p^2}{\omega(\omega+i\gamma)}
+$$
+
+## Install
+
+```bash
+npm install @galihru/mnp-material
+```
+
+## Usage
+
+```js
+import { drudeEpsilon } from "@galihru/mnp-material";
+
+const epsAu = drudeEpsilon("Au", 548.1);
+console.log(epsAu);
+```

package/package.json

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+{
+  "name": "@galihru/mnp-material",
+  "version": "0.1.0",
+  "description": "Material dielectric models for plasmonic electrodynamics.",
+  "type": "module",
+  "main": "./src/index.js",
+  "exports": {
+    ".": "./src/index.js"
+  },
+  "files": [
+    "src",
+    "README.md"
+  ],
+  "author": "GALIH RIDHO UTOMO <g4lihru@students.unnes.ac.id>",
+  "license": "GPL-2.0-only",
+  "repository": {
+    "type": "git",
+    "url": "https://github.com/galihru/mnpbem.git"
+  },
+  "publishConfig": {
+    "registry": "https://registry.npmjs.org/",
+    "access": "public"
+  },
+  "scripts": {
+    "test": "node --test"
+  }
+}

package/src/complex.js

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+export function complex(re = 0, im = 0) {
+  return { re: Number(re), im: Number(im) };
+}
+
+export function add(a, b) {
+  return complex(a.re + b.re, a.im + b.im);
+}
+
+export function sub(a, b) {
+  return complex(a.re - b.re, a.im - b.im);
+}
+
+export function mul(a, b) {
+  return complex(a.re * b.re - a.im * b.im, a.re * b.im + a.im * b.re);
+}
+
+export function div(a, b) {
+  const denom = b.re * b.re + b.im * b.im;
+  if (denom === 0) {
+    throw new Error("Division by zero complex number");
+  }
+  return complex((a.re * b.re + a.im * b.im) / denom, (a.im * b.re - a.re * b.im) / denom);
+}
+
+export function sqrtComplex(z) {
+  const r = Math.hypot(z.re, z.im);
+  const re = Math.sqrt((r + z.re) / 2);
+  const imSign = z.im < 0 ? -1 : 1;
+  const im = imSign * Math.sqrt(Math.max((r - z.re) / 2, 0));
+  return complex(re, im);
+}
+
+export function fromReal(x) {
+  return complex(x, 0);
+}

package/src/index.js

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+export { EV_TO_NM, HARTREE_EV, constantEpsilon, drudeEpsilon, makeDrudeMaterial, wavenumberInMedium } from "./material.js";
+export { add, complex, div, fromReal, mul, sqrtComplex, sub } from "./complex.js";

package/src/material.js

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+import { add, complex, div, fromReal, mul, sqrtComplex, sub } from "./complex.js";
+
+export const EV_TO_NM = 1.0 / 8.0655477e-4;
+export const HARTREE_EV = 27.2116;
+
+const MATERIAL_TABLE = {
+  au: { rs: 3.0, eps0: 10.0, gammadAu: (0.66 / HARTREE_EV) / 10.0 },
+  gold: { rs: 3.0, eps0: 10.0, gammadAu: (0.66 / HARTREE_EV) / 10.0 },
+  ag: { rs: 3.0, eps0: 3.3, gammadAu: (0.66 / HARTREE_EV) / 30.0 },
+  silver: { rs: 3.0, eps0: 3.3, gammadAu: (0.66 / HARTREE_EV) / 30.0 },
+  al: { rs: 2.07, eps0: 1.0, gammadAu: 1.06 / HARTREE_EV },
+  aluminum: { rs: 2.07, eps0: 1.0, gammadAu: 1.06 / HARTREE_EV }
+};
+
+function mapInput(values, fn) {
+  if (Array.isArray(values)) {
+    return values.map(fn);
+  }
+  return fn(values);
+}
+
+export function makeDrudeMaterial(name) {
+  const key = String(name).toLowerCase();
+  const row = MATERIAL_TABLE[key];
+  if (!row) {
+    throw new Error(`Unknown material '${name}'. Expected one of: Au, Ag, Al.`);
+  }
+
+  const density = 3.0 / (4.0 * Math.PI * row.rs ** 3);
+  const wpAu = Math.sqrt(4.0 * Math.PI * density);
+
+  return {
+    name,
+    eps0: row.eps0,
+    gammad: row.gammadAu * HARTREE_EV,
+    wp: wpAu * HARTREE_EV
+  };
+}
+
+export function drudeEpsilon(materialName, wavelengthNm) {
+  const m = makeDrudeMaterial(materialName);
+  return mapInput(wavelengthNm, (wl) => {
+    const w = EV_TO_NM / Number(wl);
+    const numerator = fromReal(m.wp ** 2);
+    const denom = mul(fromReal(w), add(fromReal(w), complex(0, m.gammad)));
+    return sub(fromReal(m.eps0), div(numerator, denom));
+  });
+}
+
+export function constantEpsilon(value, wavelengthNm) {
+  return mapInput(wavelengthNm, () => complex(value, 0));
+}
+
+export function wavenumberInMedium(wavelengthNm, epsilonComplex) {
+  const computeOne = (wl, eps) => {
+    const factor = (2.0 * Math.PI) / Number(wl);
+    return mul(fromReal(factor), sqrtComplex(eps));
+  };
+
+  if (Array.isArray(wavelengthNm)) {
+    return wavelengthNm.map((wl, i) => computeOne(wl, epsilonComplex[i]));
+  }
+  return computeOne(wavelengthNm, epsilonComplex);
+}